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Compound 1a
Drug synonym:Not Available
Molecular Weight:995.2951
Molecular Formula:C78H58
SMILES:CC1=CC(C)=C(C(C)=C1)C1=CC2=C3C(=C1)C1=CC(=CC4=C1C1=C3C3=C5C6=C(C=C(C=C6C6=C3C2=CC=C6)C2=C(C)C=C(C)C=C2C)C2=C3C(=CC(=C2)C2=C(C)C=C(C)C=C2C)C2=C(C4=CC=C2)C1=C53)C1=C(C)C=C(C)C=C1C
InChI:1S/C78H58/c1-35-19-39(5)63(40(6)20-35)47-27-55-51-15-13-16-52-57-29-49(65-43(9)23-37(3)24-44(65)10)33-61-62-34-50(66-45(11)25-38(4)26-46(66)12)30-58-54-18-14-17-53-56-28-48(64-41(7)21-36(2)22-42(64)8)32-60-59(31-47)69(55)75-73(67(51)52)77(71(57)61)78(72(58)62)74(68(53)54)76(75)70(56)60/h13-34H,1-12H3
InChIKey:ZRSDGNRBUBDUSB-UHFFFAOYSA-N
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Compound 1b
Drug synonym:Not Available
Molecular Weight:995.2951
Molecular Formula:C78H58
SMILES:CC1=CC(C)=C(C(C)=C1)C1=CC2=C3C(=C1)C1=C4C(=CC=C1)C1=CC=CC5=C1C1=C4C3=C3C4=C(C=C(C=C24)C2=C(C)C=C(C)C=C2C)C2=C4C(=CC(=C2)C2=C(C)C=C(C)C=C2C)C2=C(C5=CC(=C2)C2=C(C)C=C(C)C=C2C)C1=C34
InChI:1S/C78H58/c1-35-19-39(5)63(40(6)20-35)47-27-55-53-17-13-15-51-52-16-14-18-54-56-28-48(64-41(7)21-36(2)22-42(64)8)30-58-60-32-50(66-45(11)25-38(4)26-46(66)12)34-62-61-33-49(65-43(9)23-37(3)24-44(65)10)31-59-57(29-47)69(55)75-73(67(51)53)74(68(52)54)76(70(56)58)78(72(60)62)77(75)71(59)61/h13-34H,1-12H3
InChIKey:AOWRHGHYYVEZKM-UHFFFAOYSA-N
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Compound 1c
Drug synonym:Not Available
Molecular Weight:877.1194
Molecular Formula:C69H48
SMILES:CC1=CC(C)=C(C(C)=C1)C1=CC2=C3C(=C1)C1=CC=CC4=C1C1=C3C3=C5C6=C(C=C(C=C6C6=C3C2=CC=C6)C2=C(C)C=C(C)C=C2C)C2=C3C(=CC=C2)C2=C(C4=CC(=C2)C2=C(C)C=C(C)C=C2C)C1=C53
InChI:1S/C69H48/c1-31-19-34(4)55(35(5)20-31)40-25-49-43-13-10-15-45-51-27-41(56-36(6)21-32(2)22-37(56)7)29-53-47-17-12-18-48-54-30-42(57-38(8)23-33(3)24-39(57)9)28-52-46-16-11-14-44-50(26-40)61(49)67-64(58(43)45)68(62(51)53)66(60(47)48)69(63(52)54)65(67)59(44)46/h10-30H,1-9H3
InChIKey:KQCAOVVXRRNLTA-UHFFFAOYSA-N
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Compound 2b
Drug synonym:Not Available
Molecular Weight:1247.218
Molecular Formula:C90H80B2O4
SMILES:CC1=CC(C)=C(C(C)=C1)C1=CC2=C3C(=C1)C1=C4C(=CC(=C1)B1OC(C)(C)C(C)(C)O1)C1=CC(=CC5=C1C1=C4C3=C3C4=C(C=C(C=C24)C2=C(C)C=C(C)C=C2C)C2=C4C(=CC(=C2)C2=C(C)C=C(C)C=C2C)C2=C(C5=CC(=C2)C2=C(C)C=C(C)C=C2C)C1=C34)B1OC(C)(C)C(C)(C)O1
InChI:1S/C90H80B2O4/c1-41-21-45(5)71(46(6)22-41)53-29-59-60-30-54(72-47(7)23-42(2)24-48(72)8)32-62-64-34-56(74-51(11)27-44(4)28-52(74)12)36-66-68-38-58(92-95-89(17,18)90(19,20)96-92)40-70-69-39-57(91-93-87(13,14)88(15,16)94-91)37-67-65-35-55(73-49(9)25-43(3)26-50(73)10)33-63-61(31-53)75(59)81-82(76(60)62)84(78(64)66)86(80(68)70)85(79(67)69)83(81)77(63)65/h21-40H,1-20H3
InChIKey:NBQFVLPIQPEPDZ-UHFFFAOYSA-N
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Compound 2a
Drug synonym:Not Available
Molecular Weight:1247.218
Molecular Formula:C90H80B2O4
SMILES:CC1=CC(C)=C(C(C)=C1)C1=CC2=C3C(=C1)C1=CC(=CC4=C1C1=C3C3=C5C6=C(C=C(C=C6C6=C3C2=CC(=C6)B2OC(C)(C)C(C)(C)O2)C2=C(C)C=C(C)C=C2C)C2=C3C(=CC(=C2)C2=C(C)C=C(C)C=C2C)C2=C(C4=CC(=C2)B2OC(C)(C)C(C)(C)O2)C1=C53)C1=C(C)C=C(C)C=C1C
InChI:1S/C90H80B2O4/c1-41-21-45(5)71(46(6)22-41)53-29-59-60-30-54(72-47(7)23-42(2)24-48(72)8)34-64-69-39-58(92-95-89(17,18)90(19,20)96-92)40-70-66-36-56(74-51(11)27-44(4)28-52(74)12)32-62-61-31-55(73-49(9)25-43(3)26-50(73)10)35-65-68-38-57(91-93-87(13,14)88(15,16)94-91)37-67-63(33-53)75(59)81-82(76(60)64)86(80(69)70)84(78(62)66)83(77(61)65)85(81)79(67)68/h21-40H,1-20H3
InChIKey:LFTWMBNVAXPSBB-UHFFFAOYSA-N
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Compound 2c
Drug synonym:Not Available
Molecular Weight:1255.003
Molecular Formula:C87H81B3O6
SMILES:CC1=CC(C)=C(C(C)=C1)C1=CC2=C3C(=C1)C1=CC(=CC4=C1C1=C3C3=C5C6=C(C=C(C=C6C6=C3C2=CC(=C6)B2OC(C)(C)C(C)(C)O2)C2=C(C)C=C(C)C=C2C)C2=C3C(=CC(=C2)B2OC(C)(C)C(C)(C)O2)C2=C(C4=CC(=C2)C2=C(C)C=C(C)C=C2C)C1=C53)B1OC(C)(C)C(C)(C)O1
InChI:1S/C87H81B3O6/c1-40-22-43(4)67(44(5)23-40)49-28-55-61-34-52(88-91-82(10,11)83(12,13)92-88)36-63-57-30-50(68-45(6)24-41(2)25-46(68)7)32-59-65-38-54(90-95-86(18,19)87(20,21)96-90)39-66-60-33-51(69-47(8)26-42(3)27-48(69)9)31-58-64-37-53(89-93-84(14,15)85(16,17)94-89)35-62-56(29-49)70(55)76-79(73(61)63)77(71(57)59)81(75(65)66)78(72(58)60)80(76)74(62)64/h22-39H,1-21H3
InChIKey:FMBWKSJBYWNDIY-UHFFFAOYSA-N
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Compound 3a
Drug synonym:Not Available
Molecular Weight:1027.294
Molecular Formula:C78H58O2
SMILES:CC1=CC(C)=C(C(C)=C1)C1=CC2=C3C(=C1)C1=C4C(=CC(O)=C1)C1=C5C(=CC(=C1)C1=C(C)C=C(C)C=C1C)C1=C6C(=CC(=C1)C1=C(C)C=C(C)C=C1C)C1=C7C(=CC(O)=C1)C1=C(C2=CC(=C1)C1=C(C)C=C(C)C=C1C)C1=C7C6=C5C4=C31
InChI:1S/C78H58O2/c1-33-13-37(5)63(38(6)14-33)45-21-51-52-22-46(64-39(7)15-34(2)16-40(64)8)26-56-61-31-50(80)32-62-58-28-48(66-43(11)19-36(4)20-44(66)12)24-54-53-23-47(65-41(9)17-35(3)18-42(65)10)27-57-60-30-49(79)29-59-55(25-45)67(51)73-74(68(52)56)78(72(61)62)76(70(54)58)75(69(53)57)77(73)71(59)60/h13-32,79-80H,1-12H3
InChIKey:UIHKHHCULDDKNR-UHFFFAOYSA-N
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Compound 3c
Drug synonym:Not Available
Molecular Weight:925.1176
Molecular Formula:C69H48O3
SMILES:CC1=CC(C)=C(C(C)=C1)C1=CC2=C3C(=C1)C1=C4C(=CC(O)=C1)C1=C5C(=CC(=C1)C1=C(C)C=C(C)C=C1C)C1=C6C(=CC(O)=C1)C1=C7C(=CC(=C1)C1=C(C)C=C(C)C=C1C)C1=C(C2=CC(O)=C1)C1=C3C4=C5C6=C71
InChI:1S/C69H48O3/c1-28-10-31(4)55(32(5)11-28)37-16-43-49-22-40(70)24-51-45-18-38(56-33(6)12-29(2)13-34(56)7)20-47-53-26-42(72)27-54-48-21-39(57-35(8)14-30(3)15-36(57)9)19-46-52-25-41(71)23-50-44(17-37)58(43)64-67(61(49)51)65(59(45)47)69(63(53)54)66(60(46)48)68(64)62(50)52/h10-27,70-72H,1-9H3
InChIKey:WSRFPWRYVGNJMK-UHFFFAOYSA-N
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Compound 3b
Drug synonym:Not Available
Molecular Weight:1027.294
Molecular Formula:C78H58O2
SMILES:CC1=CC(C)=C(C(C)=C1)C1=CC2=C3C(=C1)C1=C4C(=CC(O)=C1)C1=CC(O)=CC5=C1C1=C4C3=C3C4=C(C=C(C=C24)C2=C(C)C=C(C)C=C2C)C2=C4C(=CC(=C2)C2=C(C)C=C(C)C=C2C)C2=C(C5=CC(=C2)C2=C(C)C=C(C)C=C2C)C1=C34
InChI:1S/C78H58O2/c1-33-13-37(5)63(38(6)14-33)45-21-51-52-22-46(64-39(7)15-34(2)16-40(64)8)24-54-56-26-48(66-43(11)19-36(4)20-44(66)12)28-58-60-30-50(80)32-62-61-31-49(79)29-59-57-27-47(65-41(9)17-35(3)18-42(65)10)25-55-53(23-45)67(51)73-74(68(52)54)76(70(56)58)78(72(60)62)77(71(59)61)75(73)69(55)57/h13-32,79-80H,1-12H3
InChIKey:RBRIESHSUJHUNC-UHFFFAOYSA-N
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Compound 5a
Drug synonym:Not Available
Molecular Weight:1055.347
Molecular Formula:C80H62O2
SMILES:COC1=CC2=C3C(=C1)C1=C4C(=CC(=C1)C1=C(C)C=C(C)C=C1C)C1=C5C(=CC(=C1)C1=C(C)C=C(C)C=C1C)C1=C6C(=CC(OC)=C1)C1=C7C(=CC(=C1)C1=C(C)C=C(C)C=C1C)C1=C(C2=CC(=C1)C1=C(C)C=C(C)C=C1C)C1=C7C6=C5C4=C31
InChI:1S/C80H62O2/c1-35-15-39(5)65(40(6)16-35)47-23-53-54-24-48(66-41(7)17-36(2)18-42(66)8)28-58-63-33-52(82-14)34-64-60-30-50(68-45(11)21-38(4)22-46(68)12)26-56-55-25-49(67-43(9)19-37(3)20-44(67)10)29-59-62-32-51(81-13)31-61-57(27-47)69(53)75-76(70(54)58)80(74(63)64)78(72(56)60)77(71(55)59)79(75)73(61)62/h15-34H,1-14H3
InChIKey:SLAJVAJHMSIQQW-UHFFFAOYSA-N
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Compound 4a
Drug synonym:Not Available
Molecular Weight:1291.417
Molecular Formula:C80H56F6O6S2
SMILES:CC1=CC(C)=C(C(C)=C1)C1=CC2=C3C(=C1)C1=C4C(=CC(OS(=O)(=O)C(F)(F)F)=C1)C1=C5C(=CC(=C1)C1=C(C)C=C(C)C=C1C)C1=C6C(=CC(=C1)C1=C(C)C=C(C)C=C1C)C1=C7C(=CC(OS(=O)(=O)C(F)(F)F)=C1)C1=C(C2=CC(=C1)C1=C(C)C=C(C)C=C1C)C1=C7C6=C5C4=C31
InChI:1S/C80H56F6O6S2/c1-33-13-37(5)63(38(6)14-33)45-21-51-52-22-46(64-39(7)15-34(2)16-40(64)8)26-56-61-31-50(92-94(89,90)80(84,85)86)32-62-58-28-48(66-43(11)19-36(4)20-44(66)12)24-54-53-23-47(65-41(9)17-35(3)18-42(65)10)27-57-60-30-49(91-93(87,88)79(81,82)83)29-59-55(25-45)67(51)73-74(68(52)56)78(72(61)62)76(70(54)58)75(69(53)57)77(73)71(59)60/h13-32H,1-12H3
InChIKey:GHGMULQXMBDXRD-UHFFFAOYSA-N
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Compound 6a
Drug synonym:Not Available
Molecular Weight:1155.5507
Molecular Formula:C90H74
SMILES:CC1=CC(C)=C(C(C)=C1)C1=CC2=C3C(=C1)C1=C4C(=CC(=C1)C#CC(C)(C)C)C1=C5C(=CC(=C1)C1=C(C)C=C(C)C=C1C)C1=C6C(=CC(=C1)C1=C(C)C=C(C)C=C1C)C1=C7C(=CC(=C1)C#CC(C)(C)C)C1=C(C2=CC(=C1)C1=C(C)C=C(C)C=C1C)C1=C7C6=C5C4=C31
InChI:1S/C90H74/c1-43-23-47(5)73(48(6)24-43)57-35-65-61-31-55(19-21-89(13,14)15)32-62-67-37-59(75-51(9)27-45(3)28-52(75)10)41-71-72-42-60(76-53(11)29-46(4)30-54(76)12)38-68-64-34-56(20-22-90(16,17)18)33-63-66-36-58(74-49(7)25-44(2)26-50(74)8)40-70-69(39-57)79(65)85-83(77(61)62)87(81(67)71)88(82(68)72)84(78(63)64)86(85)80(66)70/h23-42H,1-18H3
InChIKey:QIGJLDJFGCOFRX-UHFFFAOYSA-N
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Compound 6b
Drug synonym:Not Available
Molecular Weight:1155.5507
Molecular Formula:C90H74
SMILES:CC1=CC(C)=C(C(C)=C1)C1=CC2=C3C(=C1)C1=C4C(=CC(=C1)C#CC(C)(C)C)C1=C5C(=CC(=C1)C#CC(C)(C)C)C1=C6C(=CC(=C1)C1=C(C)C=C(C)C=C1C)C1=C7C(=CC(=C1)C1=C(C)C=C(C)C=C1C)C1=C(C2=CC(=C1)C1=C(C)C=C(C)C=C1C)C1=C7C6=C5C4=C31
InChI:1S/C90H74/c1-43-23-47(5)73(48(6)24-43)57-35-65-63-33-55(19-21-89(13,14)15)31-61-62-32-56(20-22-90(16,17)18)34-64-66-36-58(74-49(7)25-44(2)26-50(74)8)38-68-70-40-60(76-53(11)29-46(4)30-54(76)12)42-72-71-41-59(75-51(9)27-45(3)28-52(75)10)39-69-67(37-57)79(65)85-83(77(61)63)84(78(62)64)86(80(66)68)88(82(70)72)87(85)81(69)71/h23-42H,1-18H3
InChIKey:HEFSYSOIXDHRCX-UHFFFAOYSA-N
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Compound 6c
Drug synonym:Not Available
Molecular Weight:1117.5026
Molecular Formula:C87H72
SMILES:CC1=CC(C)=C(C(C)=C1)C1=CC2=C3C(=C1)C1=C4C(=CC(=C1)C#CC(C)(C)C)C1=C5C(=CC(=C1)C1=C(C)C=C(C)C=C1C)C1=C6C(=CC(=C1)C#CC(C)(C)C)C1=C7C(=CC(=C1)C1=C(C)C=C(C)C=C1C)C1=C(C2=CC(=C1)C#CC(C)(C)C)C1=C3C4=C5C6=C71
InChI:1S/C87H72/c1-43-25-46(4)70(47(5)26-43)55-37-64-58-31-52(19-22-85(10,11)12)33-60-66-39-56(71-48(6)27-44(2)28-49(71)7)41-68-62-35-54(21-24-87(16,17)18)36-63-69-42-57(72-50(8)29-45(3)30-51(72)9)40-67-61-34-53(20-23-86(13,14)15)32-59-65(38-55)76(64)82-79(73(58)60)83(77(66)68)81(75(62)63)84(78(67)69)80(82)74(59)61/h25-42H,1-18H3
InChIKey:XRHLJXPBLZEJIS-UHFFFAOYSA-N
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Compound 7a
Drug synonym:Not Available
Molecular Weight:1261.6758
Molecular Formula:C96H80N2
SMILES:CC1=CC(C)=C(NC2=CC3=C4C(=C2)C2=C5C(=CC(=C2)C2=C(C)C=C(C)C=C2C)C2=C6C(=CC(=C2)C2=C(C)C=C(C)C=C2C)C2=C7C(=CC(NC8=C(C)C=C(C)C=C8C)=C2)C2=C8C(=CC(=C2)C2=C(C)C=C(C)C=C2C)C2=C(C3=CC(=C2)C2=C(C)C=C(C)C=C2C)C2=C8C7=C6C5=C42)C(C)=C1
InChI:1S/C96H80N2/c1-43-19-49(7)79(50(8)20-43)61-31-67-68-32-62(80-51(9)21-44(2)22-52(80)10)36-72-77-41-66(98-96-59(17)29-48(6)30-60(96)18)42-78-74-38-64(82-55(13)25-46(4)26-56(82)14)34-70-69-33-63(81-53(11)23-45(3)24-54(81)12)37-73-76-40-65(97-95-57(15)27-47(5)28-58(95)16)39-75-71(35-61)83(67)89-90(84(68)72)94(88(77)78)92(86(70)74)91(85(69)73)93(89)87(75)76/h19-42,97-98H,1-18H3
InChIKey:XLKULNRIIXCXOM-UHFFFAOYSA-N
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Compound 7b
Drug synonym:Not Available
Molecular Weight:1261.6758
Molecular Formula:C96H80N2
SMILES:CC1=CC(C)=C(NC2=CC3=C4C(=C2)C2=C5C(=CC(NC6=C(C)C=C(C)C=C6C)=C2)C2=C6C(=CC(=C2)C2=C(C)C=C(C)C=C2C)C2=C7C(=CC(=C2)C2=C(C)C=C(C)C=C2C)C2=C8C(=CC(=C2)C2=C(C)C=C(C)C=C2C)C2=C(C3=CC(=C2)C2=C(C)C=C(C)C=C2C)C2=C4C5=C6C7=C82)C(C)=C1
InChI:1S/C96H80N2/c1-43-19-49(7)79(50(8)20-43)61-31-67-68-32-62(80-51(9)21-44(2)22-52(80)10)34-70-72-36-64(82-55(13)25-46(4)26-56(82)14)38-74-76-40-66(98-96-59(17)29-48(6)30-60(96)18)42-78-77-41-65(97-95-57(15)27-47(5)28-58(95)16)39-75-73-37-63(81-53(11)23-45(3)24-54(81)12)35-71-69(33-61)83(67)89-90(84(68)70)92(86(72)74)94(88(76)78)93(87(75)77)91(89)85(71)73/h19-42,97-98H,1-18H3
InChIKey:RXIRWXSLMJSFQN-UHFFFAOYSA-N
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Compound 8a
Drug synonym:Not Available
Molecular Weight:1045.314
Molecular Formula:C80H56N2
SMILES:CC1=CC(C)=C(C(C)=C1)C1=CC2=C3C(=C1)C1=C4C(=CC(=C1)C#N)C1=C5C(=CC(=C1)C1=C(C)C=C(C)C=C1C)C1=C6C(=CC(=C1)C1=C(C)C=C(C)C=C1C)C1=C7C(=CC(=C1)C#N)C1=C(C2=CC(=C1)C1=C(C)C=C(C)C=C1C)C1=C7C6=C5C4=C31
InChI:1S/C80H56N2/c1-35-13-39(5)65(40(6)14-35)49-25-57-53-21-47(33-81)22-54-59-27-51(67-43(9)17-37(3)18-44(67)10)31-63-64-32-52(68-45(11)19-38(4)20-46(68)12)28-60-56-24-48(34-82)23-55-58-26-50(66-41(7)15-36(2)16-42(66)8)30-62-61(29-49)71(57)77-75(69(53)54)79(73(59)63)80(74(60)64)76(70(55)56)78(77)72(58)62/h13-32H,1-12H3
InChIKey:DIPFERHIJHKJRO-UHFFFAOYSA-N
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Compound 8b
Drug synonym:Not Available
Molecular Weight:1045.314
Molecular Formula:C80H56N2
SMILES:CC1=CC(C)=C(C(C)=C1)C1=CC2=C3C(=C1)C1=C4C(=CC(=C1)C#N)C1=C5C(=CC(=C1)C#N)C1=C6C(=CC(=C1)C1=C(C)C=C(C)C=C1C)C1=C7C(=CC(=C1)C1=C(C)C=C(C)C=C1C)C1=C(C2=CC(=C1)C1=C(C)C=C(C)C=C1C)C1=C7C6=C5C4=C31
InChI:1S/C80H56N2/c1-35-13-39(5)65(40(6)14-35)49-25-57-55-23-47(33-81)21-53-54-22-48(34-82)24-56-58-26-50(66-41(7)15-36(2)16-42(66)8)28-60-62-30-52(68-45(11)19-38(4)20-46(68)12)32-64-63-31-51(67-43(9)17-37(3)18-44(67)10)29-61-59(27-49)71(57)77-75(69(53)55)76(70(54)56)78(72(58)60)80(74(62)64)79(77)73(61)63/h13-32H,1-12H3
InChIKey:LXLZLLKOZZUEDW-UHFFFAOYSA-N
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Compound 8c
Drug synonym:Not Available
Molecular Weight:952.1478
Molecular Formula:C72H45N3
SMILES:CC1=CC(C)=C(C(C)=C1)C1=CC2=C3C(=C1)C1=C4C(=CC(=C1)C#N)C1=C5C(=CC(=C1)C1=C(C)C=C(C)C=C1C)C1=C6C(=CC(=C1)C#N)C1=C7C(=CC(=C1)C1=C(C)C=C(C)C=C1C)C1=C(C2=CC(=C1)C#N)C1=C3C4=C5C6=C71
InChI:1S/C72H45N3/c1-31-10-34(4)58(35(5)11-31)43-22-52-46-16-40(28-73)18-48-54-24-44(59-36(6)12-32(2)13-37(59)7)26-56-50-20-42(30-75)21-51-57-27-45(60-38(8)14-33(3)15-39(60)9)25-55-49-19-41(29-74)17-47-53(23-43)64(52)70-67(61(46)48)71(65(54)56)69(63(50)51)72(66(55)57)68(70)62(47)49/h10-27H,1-9H3
InChIKey:SKIQWVYFOKMAAA-UHFFFAOYSA-N
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Compound 4b
Drug synonym:Not Available
Molecular Weight:1291.417
Molecular Formula:C80H56F6O6S2
SMILES:CC1=CC(C)=C(C(C)=C1)C1=CC2=C3C(=C1)C1=C4C(=CC(=C1)C1=C(C)C=C(C)C=C1C)C1=C5C(=CC(=C1)C1=C(C)C=C(C)C=C1C)C1=C6C(=CC(=C1)C1=C(C)C=C(C)C=C1C)C1=C7C(=CC(OS(=O)(=O)C(F)(F)F)=C1)C1=C(C2=CC(OS(=O)(=O)C(F)(F)F)=C1)C1=C3C4=C5C6=C71
InChI:1S/C80H56F6O6S2/c1-33-13-37(5)63(38(6)14-33)45-21-51-52-22-46(64-39(7)15-34(2)16-40(64)8)24-54-56-26-48(66-43(11)19-36(4)20-44(66)12)28-58-60-30-50(92-94(89,90)80(84,85)86)32-62-61-31-49(91-93(87,88)79(81,82)83)29-59-57-27-47(65-41(9)17-35(3)18-42(65)10)25-55-53(23-45)67(51)73-74(68(52)54)76(70(56)58)78(72(60)62)77(71(59)61)75(73)69(55)57/h13-32H,1-12H3
InChIKey:SEUDNNPXNLTUGT-UHFFFAOYSA-N
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Compound 5b
Drug synonym:Not Available
Molecular Weight:1055.347
Molecular Formula:C80H62O2
SMILES:COC1=CC2=C3C(=C1)C1=C4C(=CC(OC)=C1)C1=C5C(=CC(=C1)C1=C(C)C=C(C)C=C1C)C1=C6C(=CC(=C1)C1=C(C)C=C(C)C=C1C)C1=C7C(=CC(=C1)C1=C(C)C=C(C)C=C1C)C1=C(C2=CC(=C1)C1=C(C)C=C(C)C=C1C)C1=C3C4=C5C6=C71
InChI:1S/C80H62O2/c1-35-15-39(5)65(40(6)16-35)47-23-53-54-24-48(66-41(7)17-36(2)18-42(66)8)26-56-58-28-50(68-45(11)21-38(4)22-46(68)12)30-60-62-32-52(82-14)34-64-63-33-51(81-13)31-61-59-29-49(67-43(9)19-37(3)20-44(67)10)27-57-55(25-47)69(53)75-76(70(54)56)78(72(58)60)80(74(62)64)79(73(61)63)77(75)71(57)59/h15-34H,1-14H3
InChIKey:UITDKBOBFNGURS-UHFFFAOYSA-N
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Compound 4c
Drug synonym:Not Available
Molecular Weight:1321.303
Molecular Formula:C72H45F9O9S3
SMILES:CC1=CC(C)=C(C(C)=C1)C1=CC2=C3C(=C1)C1=C4C(=CC(OS(=O)(=O)C(F)(F)F)=C1)C1=C5C(=CC(=C1)C1=C(C)C=C(C)C=C1C)C1=C6C(=CC(OS(=O)(=O)C(F)(F)F)=C1)C1=C7C(=CC(=C1)C1=C(C)C=C(C)C=C1C)C1=C(C2=CC(OS(=O)(=O)C(F)(F)F)=C1)C1=C3C4=C5C6=C71
InChI:1S/C72H45F9O9S3/c1-28-10-31(4)55(32(5)11-28)37-16-43-49-22-40(88-91(82,83)70(73,74)75)24-51-45-18-38(56-33(6)12-29(2)13-34(56)7)20-47-53-26-42(90-93(86,87)72(79,80)81)27-54-48-21-39(57-35(8)14-30(3)15-36(57)9)19-46-52-25-41(89-92(84,85)71(76,77)78)23-50-44(17-37)58(43)64-67(61(49)51)65(59(45)47)69(63(53)54)66(60(46)48)68(64)62(50)52/h10-27H,1-9H3
InChIKey:HACXBYBRJNFBSE-UHFFFAOYSA-N
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Compound I
Drug synonym:Not Available
Molecular Weight:522.5923
Molecular Formula:C42H18
SMILES:C1=CC2=C3C(=C1)C1=CC=CC4=C1C1=C5C6=C(C=CC=C46)C4=C6C(=CC=C4)C4=C7C(=CC=C4)C4=C(C2=CC=C4)C(=C31)C7=C56
InChI:1S/C42H18/c1-7-19-21-9-2-11-23-25-13-4-15-27-29-17-6-18-30-28-16-5-14-26-24-12-3-10-22-20(8-1)31(19)37-38(32(21)23)40(34(25)27)42(36(29)30)41(35(26)28)39(37)33(22)24/h1-18H
InChIKey:IVJZBYVRLJZOOQ-UHFFFAOYSA-N
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Compound II-a
Drug synonym:Not Available
Molecular Weight:580.6748
Molecular Formula:C44H24N2
SMILES:CNC1=CC2=C3C(=C1)C1=CC=CC4=C1C1=C5C6=C(C=CC=C46)C4=CC(NC)=CC6=C4C5=C4C5=C(C=CC=C65)C5=C(C2=CC=C5)C4=C31
InChI:1S/C44H24N2/c1-45-19-15-29-25-11-3-7-21-23-9-5-13-27-31-17-20(46-2)18-32-28-14-6-10-24-22-8-4-12-26-30(16-19)37(29)43-39(33(21)25)41(35(23)27)44(38(31)32)42(36(24)28)40(43)34(22)26/h3-18,45-46H,1-2H3
InChIKey:BINNTYDSKIXUCN-UHFFFAOYSA-N
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Compound II-b
Drug synonym:Not Available
Molecular Weight:580.6748
Molecular Formula:C44H24N2
SMILES:CNC1=CC2=C3C(=C1)C1=CC=CC4=C1C1=C5C6=C(C=CC=C46)C4=C6C(=CC=C4)C4=C7C(=CC=C4)C4=C(C2=CC(NC)=C4)C(C7=C56)=C31
InChI:1S/C44H24N2/c1-45-19-15-29-27-13-5-11-25-23-9-3-7-21-22-8-4-10-24-26-12-6-14-28-30-16-20(46-2)18-32-31(17-19)37(29)43-41(35(25)27)39(33(21)23)40(34(22)24)42(36(26)28)44(43)38(30)32/h3-18,45-46H,1-2H3
InChIKey:OGCIFYQZVDQGDW-UHFFFAOYSA-N
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Compound III-a
Drug synonym:Not Available
Molecular Weight:572.6112
Molecular Formula:C44H16N2
SMILES:N#CC1=CC2=C3C(=C1)C1=CC=CC4=C1C1=C5C6=C(C=CC=C46)C4=CC(=CC6=C4C5=C4C5=C(C=CC=C65)C5=C(C2=CC=C5)C4=C31)C#N
InChI:1S/C44H16N2/c45-17-19-13-29-25-9-1-5-21-22-6-2-10-26-31-15-20(18-46)16-32-28-12-4-8-24-23-7-3-11-27-30(14-19)37(29)43-39(33(21)25)40(34(22)26)44(38(31)32)42(36(24)28)41(43)35(23)27/h1-16H
InChIKey:BOAMGGJBMGOKLG-UHFFFAOYSA-N
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Compound III-b
Drug synonym:Not Available
Molecular Weight:572.6112
Molecular Formula:C44H16N2
SMILES:N#CC1=CC2=C3C(=C1)C1=CC=CC4=C1C1=C5C6=C(C=CC=C46)C4=C6C(=CC=C4)C4=C7C(=CC=C4)C4=C(C2=CC(=C4)C#N)C(C7=C56)=C31
InChI:1S/C44H16N2/c45-17-19-13-29-27-11-3-9-25-23-7-1-5-21-22-6-2-8-24-26-10-4-12-28-30-14-20(18-46)16-32-31(15-19)37(29)43-41(35(25)27)39(33(21)23)40(34(22)24)42(36(26)28)44(43)38(30)32/h1-16H
InChIKey:DVGAMPPZVAVBLJ-UHFFFAOYSA-N
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Compound III-c
Drug synonym:Not Available
Molecular Weight:597.6207
Molecular Formula:C45H15N3
SMILES:N#CC1=CC2=C3C(=C1)C1=CC=CC4=C1C1=C5C6=C(C=C(C=C46)C#N)C4=CC=CC6=C4C5=C4C5=C(C=C(C=C65)C#N)C5=C(C2=CC=C5)C4=C31
InChI:1S/C45H15N3/c46-16-19-10-28-22-4-1-5-23-29-11-20(17-47)13-31-25-7-3-9-27-33-15-21(18-48)14-32-26-8-2-6-24-30(12-19)37(28)43-40(34(22)23)44(38(29)31)42(36(25)27)45(39(32)33)41(43)35(24)26/h1-15H
InChIKey:FORIYBKMQLRFHC-UHFFFAOYSA-N
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