Standard Article

μ-Oxo-bis[tetrakis(t-butyl)phthalocyaninatoiron(III)]

View compound in article
  1. Ju-hyeon Lee,
  2. Deepak Bhattarai,
  3. Gyochang Keum

Published Online: 16 SEP 2013

DOI: 10.1002/047084289X.rn01595

e-EROS Encyclopedia of Reagents for Organic Synthesis

e-EROS Encyclopedia of Reagents for Organic Synthesis

COMPOUND RECORD :


Compound image
Export structure or image

Summary

Compound Information

FormulaC106H106Fe2N18
Molecular Weight1743.786
SynonymsNot available

Structure Descriptors

SMILES:c1ccncc1.c1ccncc1.CC(C)(C)c1ccc2\C3=N\c4n5[Fe]n6\c(=N/C(=N3)c2c1)c1ccc(cc1\c6=N\C1=N\C(=N/c5c2ccc(cc42)C(C)(C)C)\c2cc(ccc12)C(C)(C)C)C(C)(C)C.CC(C)(C)c1ccc2\C3=N\c4n5[Fe]n6\c(=N/C(=N3)c2c1)c1ccc(cc1\c6=N\C1=N\C(=N/c5c2ccc(cc42)C(C)(C)C)\c2cc(ccc12)C(C)(C)C)C(C)(C)C
InChI:1S/2C48H48N8.2C5H5N.2Fe/c2*1-45(2,3)25-13-17-29-33(21-25)41-49-37(29)54-42-35-23-27(47(7,8)9)15-19-31(35)39(51-42)56-44-36-24-28(48(10,11)12)16-20-32(36)40(52-44)55-43-34-22-26(46(4,5)6)14-18-30(34)38(50-43)53-41;2*1-2-4-6-5-3-1;;/h2*13-24H,1-12H3;2*1-5H;;/q2*-2;;;2*+2
InChIKey:WLLOTLWXYXCFPZ-UHFFFAOYSA-N