COMPOUND RECORD :


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Summary

Compound Information

FormulaC52H51BF2N4O4
Molecular Weight844.794
SynonymsNot available

Structure Descriptors

SMILES:COCCOCCOCCOC1=CC=C(C=C1)C(=C1\N=C(\C=C\C2=CC=C(C=C2)N(CC#C)CC#C)C=C1C)\C1=C(C)C=C(\C=C\C2=CC=C(C=C2)N(CC#C)CC#C)N1B(F)F
InChI:1S/C52H51BF2N4O4/c1-8-28-57(29-9-2)46-21-13-42(14-22-46)12-20-45-38-40(5)51(56-45)50(44-18-26-49(27-19-44)63-37-36-62-35-34-61-33-32-60-7)52-41(6)39-48(59(52)53(54)55)25-17-43-15-23-47(24-16-43)58(30-10-3)31-11-4/h1-4,12-27,38-39H,28-37H2,5-7H3/b20-12+,25-17+,51-50-
InChIKey:XTXPUBWJOFBIDZ-UBBUGUINSA-N