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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC(=C2C3=NC(=C(C4=NC(=C(C5=NC(=C(C6=CC=C2N6)C7=CC=CC=C7)C=C5)C8=CC=[N+](C=C8)C)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=C2N6)C7=CC=CC=C7)C=C5)C8=CC=[N+](C=C8)C)C=C4)C9=CC=CC=C9)C=C3)C=C1

InChI

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