10,15,20-tris(4-methylphenyl)-5-pyridin-3-yl-21,22-dihydroporphyrin

Systemtic Name: 10,15,20-tris(4-methylphenyl)-5-pyridin-3-yl-21,22-dihydroporphyrin Openeye Name: 10,15,20-tris(p-tolyl)-5-(3-pyridyl)-21,22-dihydroporphyrin CAS Name: 10,15,20-tris(4-methylphenyl)-5-(3-pyridinyl)-21,22-dihydroporphyrin IUPAC Name: 10,15,20-tris(4-methylphenyl)-5-pyridin-3-yl-21,22-dihydroporphyrin Traditional Name: 10,15,20-tris(p-tolyl)-5-(3-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=C(C=C7)C)C8=CC=C(C=C8)C)C9=CN=CC=C9)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=CN=CC=C9)N3

InChI

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