12-bromanyl-3,3-dimethyl-15-(4-methylphenyl)-20-phenyl-22,23-dihydro-2H-porphyrin

Systemtic Name: 12-bromanyl-3,3-dimethyl-15-(4-methylphenyl)-20-phenyl-22,23-dihydro-2H-porphyrin Openeye Name: 12-bromo-3,3-dimethyl-20-phenyl-15-(p-tolyl)-22,23-dihydro-2H-porphyrin CAS Name: 12-bromo-3,3-dimethyl-15-(4-methylphenyl)-20-phenyl-22,23-dihydro-2H-porphyrin IUPAC Name: 12-bromo-3,3-dimethyl-15-(4-methylphenyl)-20-phenyl-22,23-dihydro-2H-porphyrin Traditional Name: 12-bromo-3,3-dimethyl-20-phenyl-15-(p-tolyl)-22,23-dihydro-2H-porphine Formula: C35H29BrN4 MolecularWeight: 585.53556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C3C=CC(=N3)C(=C4CC(C(=N4)C=C5C=CC(=CC6=C(C=C2N6)Br)N5)(C)C)C7=CC=CC=C7

Isomeric SMILES

CC1=CC=C(C=C1)C2=C3C=CC(=N3)C(=C4CC(C(=N4)C=C5C=CC(=CC6=C(C=C2N6)Br)N5)(C)C)C7=CC=CC=C7

InChI

InChI=1S/C35H29BrN4/c1-21-9-11-23(12-10-21)33-27-15-16-28(38-27)34(22-7-5-4-6-8-22)31-20-35(2,3)32(40-31)18-25-14-13-24(37-25)17-29-26(36)19-30(33)39-29/h4-19,37,39H,20H2,1-3H3