copper 2-(2-methoxy-3,5-dimethyl-phenyl)-5,10,15,20-tetraphenyl-porphyrin-23,24-diide

Systemtic Name: copper 2-(2-methoxy-3,5-dimethyl-phenyl)-5,10,15,20-tetraphenyl-porphyrin-23,24-diide Openeye Name: copper 2-(2-methoxy-3,5-dimethyl-phenyl)-5,10,15,20-tetraphenyl-porphyrin-23,24-diide CAS Name: copper 2-(2-methoxy-3,5-dimethylphenyl)-5,10,15,20-tetraphenylporphyrin-23,24-diide IUPAC Name: copper 2-(2-methoxy-3,5-dimethylphenyl)-5,10,15,20-tetraphenylporphyrin-23,24-diide Traditional Name: cupric 2-(2-methoxy-3,5-dimethyl-phenyl)-5,10,15,20-tetraphenyl-porphine-23,24-diide Formula: C53H38CuN4O MolecularWeight: 810.44102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C2=CC3=NC2=C(C4=CC=C([N-]4)C(=C5C=CC(=C(C6=NC(=C3C7=CC=CC=C7)C=C6)C8=CC=CC=C8)[N-]5)C9=CC=CC=C9)C1=CC=CC=C1)OC)C.[Cu+2]

Isomeric SMILES

CC1=CC(=C(C(=C1)C2=CC3=NC2=C(C4=CC=C([N-]4)C(=C5C=CC(=C(C6=NC(=C3C7=CC=CC=C7)C=C6)C8=CC=CC=C8)[N-]5)C9=CC=CC=C9)C1=CC=CC=C1)OC)C.[Cu+2]

InChI

InChI=1S/C53H38N4O.Cu/c1-33-30-34(2)53(58-3)40(31-33)39-32-47-50(37-20-12-6-13-21-37)45-27-26-43(55-45)48(35-16-8-4-9-17-35)41-24-25-42(54-41)49(36-18-10-5-11-19-36)44-28-29-46(56-44)51(52(39)57-47)38-22-14-7-15-23-38;/h4-32H,1-3H3;/q-2;+2