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

Systemtic Name: copper 2-(2-methoxyphenyl)-5,10,15,20-tetraphenyl-porphyrin-22,24-diide Openeye Name: copper 2-(2-methoxyphenyl)-5,10,15,20-tetraphenyl-porphyrin-22,24-diide CAS Name: copper 2-(2-methoxyphenyl)-5,10,15,20-tetraphenylporphyrin-22,24-diide IUPAC Name: copper 2-(2-methoxyphenyl)-5,10,15,20-tetraphenylporphyrin-22,24-diide Traditional Name: cupric 2-(2-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=CC=C1C2=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=CC=C1C2=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/c1-56-46-25-15-14-24-37(46)38-32-45-49(35-20-10-4-11-21-35)43-29-28-41(53-43)47(33-16-6-2-7-17-33)39-26-27-40(52-39)48(34-18-8-3-9-19-34)42-30-31-44(54-42)50(51(38)55-45)36-22-12-5-13-23-36;/h2-32H,1H3;/q-2;+2