23-methyl-5,10,15,20-tetrakis(4-methylphenyl)-21H-porphyrin

Systemtic Name: 23-methyl-5,10,15,20-tetrakis(4-methylphenyl)-21H-porphyrin Openeye Name: 23-methyl-5,10,15,20-tetrakis(p-tolyl)-21H-porphyrin CAS Name: 23-methyl-5,10,15,20-tetrakis(4-methylphenyl)-21H-porphyrin IUPAC Name: 23-methyl-5,10,15,20-tetrakis(4-methylphenyl)-21H-porphyrin Traditional Name: 23-methyl-5,10,15,20-tetrakis(p-tolyl)-21H-porphine Formula: C49H40N4 MolecularWeight: 684.8687

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C(N5C)C(=C6C=CC2=N6)C7=CC=C(C=C7)C)C8=CC=C(C=C8)C)C=C4)C9=CC=C(C=C9)C)N3

Isomeric SMILES

CC1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C(N5C)C(=C6C=CC2=N6)C7=CC=C(C=C7)C)C8=CC=C(C=C8)C)C=C4)C9=CC=C(C=C9)C)N3

InChI

InChI=1S/C49H40N4/c1-30-6-14-34(15-7-30)46-38-22-23-39(50-38)47(35-16-8-31(2)9-17-35)41-25-27-43(52-41)49(37-20-12-33(4)13-21-37)45-29-28-44(53(45)5)48(42-26-24-40(46)51-42)36-18-10-32(3)11-19-36/h6-29,50H,1-5H3