copper 2-(4-methoxyphenyl)-5,10,15,20-tetraphenyl-porphyrin-22,24-diide

Systemtic Name: copper 2-(4-methoxyphenyl)-5,10,15,20-tetraphenyl-porphyrin-22,24-diide Openeye Name: copper 2-(4-methoxyphenyl)-5,10,15,20-tetraphenyl-porphyrin-22,24-diide CAS Name: copper 2-(4-methoxyphenyl)-5,10,15,20-tetraphenylporphyrin-22,24-diide IUPAC Name: copper 2-(4-methoxyphenyl)-5,10,15,20-tetraphenylporphyrin-22,24-diide Traditional Name: cupric 2-(4-methoxyphenyl)-5,10,15,20-tetraphenyl-porphine-22,24-diide Formula: C51H34CuN4O MolecularWeight: 782.38786

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC3=NC2=C(C4=CC=C([N-]4)C(=C5C=CC(=N5)C(=C6C=CC(=C3C7=CC=CC=C7)[N-]6)C8=CC=CC=C8)C9=CC=CC=C9)C1=CC=CC=C1.[Cu+2]

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC3=NC2=C(C4=CC=C([N-]4)C(=C5C=CC(=N5)C(=C6C=CC(=C3C7=CC=CC=C7)[N-]6)C8=CC=CC=C8)C9=CC=CC=C9)C1=CC=CC=C1.[Cu+2]

InChI

InChI=1S/C51H34N4O.Cu/c1-56-38-24-22-33(23-25-38)39-32-46-49(36-18-10-4-11-19-36)44-29-28-42(53-44)47(34-14-6-2-7-15-34)40-26-27-41(52-40)48(35-16-8-3-9-17-35)43-30-31-45(54-43)50(51(39)55-46)37-20-12-5-13-21-37;/h2-32H,1H3;/q-2;+2