copper 5,10,15,20-tetrakis(4-ethenylphenyl)porphyrin-22,23-diide

Systemtic Name: copper 5,10,15,20-tetrakis(4-ethenylphenyl)porphyrin-22,23-diide Openeye Name: copper 5,10,15,20-tetrakis(4-vinylphenyl)porphyrin-22,23-diide CAS Name: copper 5,10,15,20-tetrakis(4-ethenylphenyl)porphyrin-22,23-diide IUPAC Name: copper 5,10,15,20-tetrakis(4-ethenylphenyl)porphyrin-22,23-diide Traditional Name: cupric 5,10,15,20-tetrakis(4-vinylphenyl)porphine-22,23-diide Formula: C52H36CuN4 MolecularWeight: 780.41504

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Descriptors Computed from Structure

Canonical SMILES:

C=CC1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC=C([N-]4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)C=C)C8=CC=C(C=C8)C=C)C9=CC=C(C=C9)C=C)[N-]3.[Cu+2]

Isomeric SMILES

C=CC1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC=C([N-]4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)C=C)C8=CC=C(C=C8)C=C)C9=CC=C(C=C9)C=C)[N-]3.[Cu+2]

InChI

InChI=1S/C52H36N4.Cu/c1-5-33-9-17-37(18-10-33)49-41-25-27-43(53-41)50(38-19-11-34(6-2)12-20-38)45-29-31-47(55-45)52(40-23-15-36(8-4)16-24-40)48-32-30-46(56-48)51(44-28-26-42(49)54-44)39-21-13-35(7-3)14-22-39;/h5-32H,1-4H2;/q-2;+2