5,10,15,20-tetrakis(3-methylphenyl)-21,22-dihydroporphyrin

Systemtic Name: 5,10,15,20-tetrakis(3-methylphenyl)-21,22-dihydroporphyrin Openeye Name: 5,10,15,20-tetrakis(m-tolyl)-21,22-dihydroporphyrin CAS Name: 5,10,15,20-tetrakis(3-methylphenyl)-21,22-dihydroporphyrin IUPAC Name: 5,10,15,20-tetrakis(3-methylphenyl)-21,22-dihydroporphyrin Traditional Name: 5,10,15,20-tetrakis(m-tolyl)-21,22-dihydroporphine Formula: C48H38N4 MolecularWeight: 670.84212

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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