5,20-bis(4-methylphenyl)-10-(1-methylpyridin-1-ium-4-yl)-15-(1-methylpyridin-4-ylidene)-21H-porphyrin

Systemtic Name: 5,20-bis(4-methylphenyl)-10-(1-methylpyridin-1-ium-4-yl)-15-(1-methylpyridin-4-ylidene)-21H-porphyrin Openeye Name: 10-(1-methylpyridin-1-ium-4-yl)-15-(1-methyl-4-pyridylidene)-5,20-bis(p-tolyl)-21H-porphyrin CAS Name: 5,20-bis(4-methylphenyl)-10-(1-methyl-4-pyridin-1-iumyl)-15-(1-methyl-4-pyridinylidene)-21H-porphyrin IUPAC Name: 5,20-bis(4-methylphenyl)-10-(1-methylpyridin-1-ium-4-yl)-15-(1-methylpyridin-4-ylidene)-21H-porphyrin Traditional Name: 10-(1-methylpyridin-1-ium-4-yl)-15-(1-methyl-4-pyridylidene)-5,20-bis(p-tolyl)-21H-porphine Formula: C46H37N6+ MolecularWeight: 673.82618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C3C=CC(=N3)C(=C4C=CN(C=C4)C)C5=NC(=C(C6=NC(=C(C7=CC=C2N7)C8=CC=C(C=C8)C)C=C6)C9=CC=[N+](C=C9)C)C=C5

Isomeric SMILES

CC1=CC=C(C=C1)C2=C3C=CC(=N3)C(=C4C=CN(C=C4)C)C5=NC(=C(C6=NC(=C(C7=CC=C2N7)C8=CC=C(C=C8)C)C=C6)C9=CC=[N+](C=C9)C)C=C5

InChI

InChI=1S/C46H37N6/c1-29-5-9-31(10-6-29)43-35-13-14-36(47-35)44(32-11-7-30(2)8-12-32)38-16-18-40(49-38)46(34-23-27-52(4)28-24-34)42-20-19-41(50-42)45(39-17-15-37(43)48-39)33-21-25-51(3)26-22-33/h5-28,47H,1-4H3/q+1