10-(3,5-ditert-butylphenyl)-15-(4-iodophenyl)-3,3-dimethyl-22,24-dihydro-2H-porphyrin

Systemtic Name: 10-(3,5-ditert-butylphenyl)-15-(4-iodophenyl)-3,3-dimethyl-22,24-dihydro-2H-porphyrin Openeye Name: 10-(3,5-ditert-butylphenyl)-15-(4-iodophenyl)-3,3-dimethyl-22,24-dihydro-2H-porphyrin CAS Name: 10-(3,5-ditert-butylphenyl)-15-(4-iodophenyl)-3,3-dimethyl-22,24-dihydro-2H-porphyrin IUPAC Name: 10-(3,5-ditert-butylphenyl)-15-(4-iodophenyl)-3,3-dimethyl-22,24-dihydro-2H-porphyrin Traditional Name: 10-(3,5-ditert-butylphenyl)-15-(4-iodophenyl)-3,3-dimethyl-22,24-dihydro-2H-porphine Formula: C42H43IN4 MolecularWeight: 730.72209

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=NC1=CC3=CC=C(N3)C(=C4C=CC(=N4)C(=C5C=CC(=C2)N5)C6=CC=C(C=C6)I)C7=CC(=CC(=C7)C(C)(C)C)C(C)(C)C)C

Isomeric SMILES

CC1(CC2=NC1=CC3=CC=C(N3)C(=C4C=CC(=N4)C(=C5C=CC(=C2)N5)C6=CC=C(C=C6)I)C7=CC(=CC(=C7)C(C)(C)C)C(C)(C)C)C

InChI

InChI=1S/C42H43IN4/c1-40(2,3)27-19-26(20-28(21-27)41(4,5)6)39-34-16-14-31(45-34)23-37-42(7,8)24-32(46-37)22-30-13-15-33(44-30)38(35-17-18-36(39)47-35)25-9-11-29(43)12-10-25/h9-23,44-45H,24H2,1-8H3