2,17,18,20-tetrakis(4-methylphenyl)-21,22-dihydroporphyrin

Systemtic Name: 2,17,18,20-tetrakis(4-methylphenyl)-21,22-dihydroporphyrin Openeye Name: 2,17,18,20-tetrakis(p-tolyl)-21,22-dihydroporphyrin CAS Name: 2,17,18,20-tetrakis(4-methylphenyl)-21,22-dihydroporphyrin IUPAC Name: 2,17,18,20-tetrakis(4-methylphenyl)-21,22-dihydroporphyrin Traditional Name: 2,17,18,20-tetrakis(p-tolyl)-21,22-dihydroporphine Formula: C48H38N4 MolecularWeight: 670.84212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C3C(=C4C(=C(C(=N4)C=C5C=CC(=N5)C=C6C=CC(=CC(=C2)N3)N6)C7=CC=C(C=C7)C)C8=CC=C(C=C8)C)C9=CC=C(C=C9)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=C3C(=C4C(=C(C(=N4)C=C5C=CC(=N5)C=C6C=CC(=CC(=C2)N3)N6)C7=CC=C(C=C7)C)C8=CC=C(C=C8)C)C9=CC=C(C=C9)C

InChI

InChI=1S/C48H38N4/c1-29-5-13-33(14-6-29)42-27-41-26-39-22-21-37(49-39)25-38-23-24-40(50-38)28-43-44(34-15-7-30(2)8-16-34)45(35-17-9-31(3)10-18-35)48(52-43)46(47(42)51-41)36-19-11-32(4)12-20-36/h5-28,49,51H,1-4H3