copper 10-(3,5-ditert-butylphenyl)-15-(4-iodophenyl)-3,3-dimethyl-porphyrin-22,24-diid-2-one

Systemtic Name: copper 10-(3,5-ditert-butylphenyl)-15-(4-iodophenyl)-3,3-dimethyl-porphyrin-22,24-diid-2-one Openeye Name: copper 10-(3,5-ditert-butylphenyl)-15-(4-iodophenyl)-3,3-dimethyl-porphyrin-22,24-diid-2-one CAS Name: copper 10-(3,5-ditert-butylphenyl)-15-(4-iodophenyl)-3,3-dimethyl-2-porphyrin-22,24-diidone IUPAC Name: copper 10-(3,5-ditert-butylphenyl)-15-(4-iodophenyl)-3,3-dimethylporphyrin-22,24-diid-2-one Traditional Name: cupric 10-(3,5-ditert-butylphenyl)-15-(4-iodophenyl)-3,3-dimethyl-porphine-22,24-diid-2-one Formula: C42H39CuIN4O MolecularWeight: 806.23573

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC3=CC=C([N-]3)C(=C4C=CC(=N4)C(=C5C=CC(=CC(=N2)C1=O)[N-]5)C6=CC=C(C=C6)I)C7=CC(=CC(=C7)C(C)(C)C)C(C)(C)C)C.[Cu+2]

Isomeric SMILES

CC1(C2=CC3=CC=C([N-]3)C(=C4C=CC(=N4)C(=C5C=CC(=CC(=N2)C1=O)[N-]5)C6=CC=C(C=C6)I)C7=CC(=CC(=C7)C(C)(C)C)C(C)(C)C)C.[Cu+2]

InChI

InChI=1S/C42H40IN4O.Cu/c1-40(2,3)26-19-25(20-27(21-26)41(4,5)6)38-32-16-14-30(45-32)23-36-42(7,8)39(48)35(47-36)22-29-13-15-31(44-29)37(33-17-18-34(38)46-33)24-9-11-28(43)12-10-24;/h9-23H,1-8H3,(H-,44,45,46,47,48);/q-1;+2/p-1