5,10,20-tris(4-methylphenyl)-15-pyridin-2-yl-21,22-dihydroporphyrin

Systemtic Name: 5,10,20-tris(4-methylphenyl)-15-pyridin-2-yl-21,22-dihydroporphyrin Openeye Name: 5,10,20-tris(p-tolyl)-15-(2-pyridyl)-21,22-dihydroporphyrin CAS Name: 5,10,20-tris(4-methylphenyl)-15-(2-pyridinyl)-21,22-dihydroporphyrin IUPAC Name: 5,10,20-tris(4-methylphenyl)-15-pyridin-2-yl-21,22-dihydroporphyrin Traditional Name: 5,10,20-tris(p-tolyl)-15-(2-pyridyl)-21,22-dihydroporphine Formula: C46H35N5 MolecularWeight: 657.8036

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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=CC=N7)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=CC=N7)C8=CC=C(C=C8)C)C9=CC=C(C=C9)C)N3

InChI

InChI=1S/C46H35N5/c1-28-7-13-31(14-8-28)43-35-19-21-37(48-35)44(32-15-9-29(2)10-16-32)39-23-25-41(50-39)46(34-6-4-5-27-47-34)42-26-24-40(51-42)45(38-22-20-36(43)49-38)33-17-11-30(3)12-18-33/h4-27,48-49H,1-3H3