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

Systemtic Name: 5-(1-methylpyridin-1-ium-4-yl)-10-(1-methylpyridin-4-ylidene)-15,20-diphenyl-porphyrin-22-ide Openeye Name: 5-(1-methylpyridin-1-ium-4-yl)-10-(1-methyl-4-pyridylidene)-15,20-diphenyl-porphyrin-22-ide CAS Name: 5-(1-methyl-4-pyridin-1-iumyl)-10-(1-methyl-4-pyridinylidene)-15,20-diphenylporphyrin-22-ide IUPAC Name: 5-(1-methylpyridin-1-ium-4-yl)-10-(1-methylpyridin-4-ylidene)-15,20-diphenylporphyrin-22-ide Traditional Name: 5-(1-methylpyridin-1-ium-4-yl)-10-(1-methyl-4-pyridylidene)-15,20-diphenyl-porphin-22-ide Formula: C44H32N6 MolecularWeight: 644.76508

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC(=C2C3=NC(=C(C4=NC(=C(C5=NC(=C(C6=CC=C2[N-]6)C7=CC=[N+](C=C7)C)C=C5)C8=CC=CC=C8)C=C4)C9=CC=CC=C9)C=C3)C=C1

Isomeric SMILES

CN1C=CC(=C2C3=NC(=C(C4=NC(=C(C5=NC(=C(C6=CC=C2[N-]6)C7=CC=[N+](C=C7)C)C=C5)C8=CC=CC=C8)C=C4)C9=CC=CC=C9)C=C3)C=C1

InChI

InChI=1S/C44H32N6/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/h3-28H,1-2H3