copper 10-(3,5-ditert-butylphenyl)-15-(4-iodophenyl)-3,3-dimethyl-2H-porphyrin-22,23-diide

Systemtic Name: copper 10-(3,5-ditert-butylphenyl)-15-(4-iodophenyl)-3,3-dimethyl-2H-porphyrin-22,23-diide Openeye Name: copper 10-(3,5-ditert-butylphenyl)-15-(4-iodophenyl)-3,3-dimethyl-2H-porphyrin-22,23-diide CAS Name: copper 10-(3,5-ditert-butylphenyl)-15-(4-iodophenyl)-3,3-dimethyl-2H-porphyrin-22,23-diide IUPAC Name: copper 10-(3,5-ditert-butylphenyl)-15-(4-iodophenyl)-3,3-dimethyl-2H-porphyrin-22,23-diide Traditional Name: cupric 10-(3,5-ditert-butylphenyl)-15-(4-iodophenyl)-3,3-dimethyl-2H-porphine-22,23-diide Formula: C42H41CuIN4 MolecularWeight: 792.25221

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=CC3=NC(=C(C4=CC=C([N-]4)C(=C5C=CC(=CC1=N2)[N-]5)C6=CC(=CC(=C6)C(C)(C)C)C(C)(C)C)C7=CC=C(C=C7)I)C=C3)C.[Cu+2]

Isomeric SMILES

CC1(CC2=CC3=NC(=C(C4=CC=C([N-]4)C(=C5C=CC(=CC1=N2)[N-]5)C6=CC(=CC(=C6)C(C)(C)C)C(C)(C)C)C7=CC=C(C=C7)I)C=C3)C.[Cu+2]

InChI

InChI=1S/C42H41IN4.Cu/c1-40(2,3)27-19-26(20-28(21-27)41(4,5)6)39-34-16-14-31(45-34)23-37-42(7,8)24-32(46-37)22-30-13-15-33(44-30)38(35-17-18-36(39)47-35)25-9-11-29(43)12-10-25;/h9-23H,24H2,1-8H3;/q-2;+2