copper 5,10-bis(1-methylpyridin-1-ium-4-yl)-15,20-diphenyl-porphyrin-22,24-diide

Systemtic Name: copper 5,10-bis(1-methylpyridin-1-ium-4-yl)-15,20-diphenyl-porphyrin-22,24-diide Openeye Name: copper 5,10-bis(1-methylpyridin-1-ium-4-yl)-15,20-diphenyl-porphyrin-22,24-diide CAS Name: copper 5,10-bis(1-methyl-4-pyridin-1-iumyl)-15,20-diphenylporphyrin-22,24-diide IUPAC Name: copper 5,10-bis(1-methylpyridin-1-ium-4-yl)-15,20-diphenylporphyrin-22,24-diide Traditional Name: cupric 5,10-bis(1-methylpyridin-1-ium-4-yl)-15,20-diphenyl-porphine-22,24-diide Formula: C44H32CuN6+2 MolecularWeight: 708.31108

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=C(C=C1)C2=C3C=CC(=N3)C(=C4C=CC(=C(C5=NC(=C(C6=CC=C2[N-]6)C7=CC=[N+](C=C7)C)C=C5)C8=CC=CC=C8)[N-]4)C9=CC=CC=C9.[Cu+2]

Isomeric SMILES

C[N+]1=CC=C(C=C1)C2=C3C=CC(=N3)C(=C4C=CC(=C(C5=NC(=C(C6=CC=C2[N-]6)C7=CC=[N+](C=C7)C)C=C5)C8=CC=CC=C8)[N-]4)C9=CC=CC=C9.[Cu+2]

InChI

InChI=1S/C44H32N6.Cu/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;/q;+2