5,15-bis(4-methylphenyl)-10-(1-methylpyridin-1-ium-4-yl)-20-(1-methylpyridin-4-ylidene)porphyrin-22-ide

Systemtic Name: 5,15-bis(4-methylphenyl)-10-(1-methylpyridin-1-ium-4-yl)-20-(1-methylpyridin-4-ylidene)porphyrin-22-ide Openeye Name: 5-(1-methylpyridin-1-ium-4-yl)-15-(1-methyl-4-pyridylidene)-10,20-bis(p-tolyl)porphyrin-22-ide CAS Name: 5,15-bis(4-methylphenyl)-10-(1-methyl-4-pyridin-1-iumyl)-20-(1-methyl-4-pyridinylidene)porphyrin-22-ide IUPAC Name: 5,15-bis(4-methylphenyl)-10-(1-methylpyridin-1-ium-4-yl)-20-(1-methylpyridin-4-ylidene)porphyrin-22-ide Traditional Name: 5-(1-methylpyridin-1-ium-4-yl)-15-(1-methyl-4-pyridylidene)-10,20-bis(p-tolyl)porphin-22-ide Formula: C46H36N6 MolecularWeight: 672.81824

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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=CC=C([N-]6)C(=C7C=CC2=N7)C8=CC=[N+](C=C8)C)C9=CC=C(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=CC=C([N-]6)C(=C7C=CC2=N7)C8=CC=[N+](C=C8)C)C9=CC=C(C=C9)C)C=C5

InChI

InChI=1S/C46H36N6/c1-29-5-9-31(10-6-29)43-35-13-17-39(47-35)45(33-21-25-51(3)26-22-33)41-19-15-37(49-41)44(32-11-7-30(2)8-12-32)38-16-20-42(50-38)46(40-18-14-36(43)48-40)34-23-27-52(4)28-24-34/h5-28H,1-4H3