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

Systemtic Name: 10-(1-methylpyridin-1-ium-4-yl)-15-(1-methylpyridin-4-ylidene)-5,20-diphenyl-21H-porphyrin Openeye Name: 10-(1-methylpyridin-1-ium-4-yl)-15-(1-methyl-4-pyridylidene)-5,20-diphenyl-21H-porphyrin CAS Name: 10-(1-methyl-4-pyridin-1-iumyl)-15-(1-methyl-4-pyridinylidene)-5,20-diphenyl-21H-porphyrin IUPAC Name: 10-(1-methylpyridin-1-ium-4-yl)-15-(1-methylpyridin-4-ylidene)-5,20-diphenyl-21H-porphyrin Traditional Name: 10-(1-methylpyridin-1-ium-4-yl)-15-(1-methyl-4-pyridylidene)-5,20-diphenyl-21H-porphine Formula: C44H33N6+ MolecularWeight: 645.77302

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC(=C2C3=NC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=[N+](C=C7)C)C8=CC=CC=C8)C9=CC=CC=C9)C=C3)C=C1

Isomeric SMILES

CN1C=CC(=C2C3=NC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=[N+](C=C7)C)C8=CC=CC=C8)C9=CC=CC=C9)C=C3)C=C1

InChI

InChI=1S/C44H33N6/c1-49-25-21-31(22-26-49)43-37-17-15-35(46-37)41(29-9-5-3-6-10-29)33-13-14-34(45-33)42(30-11-7-4-8-12-30)36-16-18-38(47-36)44(40-20-19-39(43)48-40)32-23-27-50(2)28-24-32/h3-28,45H,1-2H3/q+1