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

Systemtic Name: 10,15-bis(1-methylpyridin-1-ium-4-yl)-5-(1-methylpyridin-4-ylidene)-20-phenyl-21H-porphyrin Openeye Name: 10,15-bis(1-methylpyridin-1-ium-4-yl)-5-(1-methyl-4-pyridylidene)-20-phenyl-21H-porphyrin CAS Name: 10,15-bis(1-methyl-4-pyridin-1-iumyl)-5-(1-methyl-4-pyridinylidene)-20-phenyl-21H-porphyrin IUPAC Name: 10,15-bis(1-methylpyridin-1-ium-4-yl)-5-(1-methylpyridin-4-ylidene)-20-phenyl-21H-porphyrin Traditional Name: 10,15-bis(1-methylpyridin-1-ium-4-yl)-5-(1-methyl-4-pyridylidene)-20-phenyl-21H-porphine Formula: C44H35N7+2 MolecularWeight: 661.7956

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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=[N+](C=C9)C)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=[N+](C=C9)C)C=C3)C=C1

InChI

InChI=1S/C44H35N7/c1-49-23-17-30(18-24-49)42-35-11-9-33(45-35)41(29-7-5-4-6-8-29)34-10-12-36(46-34)43(31-19-25-50(2)26-20-31)38-14-16-40(48-38)44(39-15-13-37(42)47-39)32-21-27-51(3)28-22-32/h4-28,45H,1-3H3/q+2