5-(4-ethenylphenyl)-10,20-bis(4-methylphenyl)-15-(1H-pyrrol-2-yl)-21,22-dihydroporphyrin

Systemtic Name: 5-(4-ethenylphenyl)-10,20-bis(4-methylphenyl)-15-(1H-pyrrol-2-yl)-21,22-dihydroporphyrin Openeye Name: 10,20-bis(p-tolyl)-15-(1H-pyrrol-2-yl)-5-(4-vinylphenyl)-21,22-dihydroporphyrin CAS Name: 5-(4-ethenylphenyl)-10,20-bis(4-methylphenyl)-15-(1H-pyrrol-2-yl)-21,22-dihydroporphyrin IUPAC Name: 5-(4-ethenylphenyl)-10,20-bis(4-methylphenyl)-15-(1H-pyrrol-2-yl)-21,22-dihydroporphyrin Traditional Name: 10,20-bis(p-tolyl)-15-(1H-pyrrol-2-yl)-5-(4-vinylphenyl)-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=CN7)C8=CC=C(C=C8)C)C9=CC=C(C=C9)C=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=CN7)C8=CC=C(C=C8)C)C9=CC=C(C=C9)C=C)N3

InChI

InChI=1S/C46H35N5/c1-4-30-11-17-33(18-12-30)45-37-21-19-35(48-37)43(31-13-7-28(2)8-14-31)39-23-25-41(50-39)46(34-6-5-27-47-34)42-26-24-40(51-42)44(36-20-22-38(45)49-36)32-15-9-29(3)10-16-32/h4-27,47-49H,1H2,2-3H3