5,10-bis(4-methylphenyl)-15-(1-methylpyridin-1-ium-4-yl)-20-(1-methylpyridin-4-ylidene)porphyrin-24-ide

Systemtic Name: 5,10-bis(4-methylphenyl)-15-(1-methylpyridin-1-ium-4-yl)-20-(1-methylpyridin-4-ylidene)porphyrin-24-ide Openeye Name: 5-(1-methylpyridin-1-ium-4-yl)-10-(1-methyl-4-pyridylidene)-15,20-bis(p-tolyl)porphyrin-22-ide CAS Name: 5,10-bis(4-methylphenyl)-15-(1-methyl-4-pyridin-1-iumyl)-20-(1-methyl-4-pyridinylidene)porphyrin-24-ide IUPAC Name: 5,10-bis(4-methylphenyl)-15-(1-methylpyridin-1-ium-4-yl)-20-(1-methylpyridin-4-ylidene)porphyrin-24-ide Traditional Name: 5-(1-methylpyridin-1-ium-4-yl)-10-(1-methyl-4-pyridylidene)-15,20-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=CC=C([N-]5)C(=C6C=CC(=N6)C(=C7C=CC2=N7)C8=CC=C(C=C8)C)C9=CC=[N+](C=C9)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=C3C=CC(=N3)C(=C4C=CN(C=C4)C)C5=CC=C([N-]5)C(=C6C=CC(=N6)C(=C7C=CC2=N7)C8=CC=C(C=C8)C)C9=CC=[N+](C=C9)C

InChI

InChI=1S/C46H36N6/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/h5-28H,1-4H3