copper 3,3-dimethyl-10-(4-methylphenyl)-15-(2,4,6-trimethylphenyl)porphyrin-23-id-2-olate

Systemtic Name: copper 3,3-dimethyl-10-(4-methylphenyl)-15-(2,4,6-trimethylphenyl)porphyrin-23-id-2-olate Openeye Name: copper 3,3-dimethyl-10-(p-tolyl)-15-(2,4,6-trimethylphenyl)porphyrin-23-id-2-olate CAS Name: copper 3,3-dimethyl-10-(4-methylphenyl)-15-(2,4,6-trimethylphenyl)-2-porphyrin-23-idolate IUPAC Name: copper 3,3-dimethyl-10-(4-methylphenyl)-15-(2,4,6-trimethylphenyl)porphyrin-23-id-2-olate Traditional Name: cupric 15-mesityl-3,3-dimethyl-10-(p-tolyl)porphin-23-id-2-olate Formula: C38H32CuN4O MolecularWeight: 624.23288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=CC5=C(C(C(=N5)C=C6C=CC2=N6)(C)C)[O-])C=C4)C7=C(C=C(C=C7C)C)C)[N-]3.[Cu+2]

Isomeric SMILES

CC1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=CC5=C(C(C(=N5)C=C6C=CC2=N6)(C)C)[O-])C=C4)C7=C(C=C(C=C7C)C)C)[N-]3.[Cu+2]

InChI

InChI=1S/C38H33N4O.Cu/c1-21-7-9-25(10-8-21)35-28-13-12-27(40-28)20-33-38(5,6)37(43)32(42-33)19-26-11-14-30(39-26)36(31-16-15-29(35)41-31)34-23(3)17-22(2)18-24(34)4;/h7-20H,1-6H3,(H-,39,40,41,42,43);/q-1;+2/p-1