5,10,15,20-tetrakis(4-methylphenyl)-21,22-dihydroporphyrin

Systemtic Name: 5,10,15,20-tetrakis(4-methylphenyl)-21,22-dihydroporphyrin Openeye Name: 5,10,15,20-tetrakis(p-tolyl)-21,22-dihydroporphyrin CAS Name: 5,10,15,20-tetrakis(4-methylphenyl)-21,22-dihydroporphyrin IUPAC Name: 5,10,15,20-tetrakis(4-methylphenyl)-21,22-dihydroporphyrin Traditional Name: 5,10,15,20-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=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)C)C8=CC=C(C=C8)C)C9=CC=C(C=C9)C)N3

Isomeric SMILES

CC1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)C)C8=CC=C(C=C8)C)C9=CC=C(C=C9)C)N3

InChI

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