copper 5,15-diphenyl-10,20-bis(trifluoromethyl)porphyrin-22,24-diide

Systemtic Name: copper 5,15-diphenyl-10,20-bis(trifluoromethyl)porphyrin-22,24-diide Openeye Name: copper 5,15-diphenyl-10,20-bis(trifluoromethyl)porphyrin-22,24-diide CAS Name: copper 5,15-diphenyl-10,20-bis(trifluoromethyl)porphyrin-22,24-diide IUPAC Name: copper 5,15-diphenyl-10,20-bis(trifluoromethyl)porphyrin-22,24-diide Traditional Name: cupric 5,15-diphenyl-10,20-bis(trifluoromethyl)porphine-22,24-diide Formula: C34H18CuF6N4 MolecularWeight: 660.069939

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C(F)(F)F)C7=CC=CC=C7)C=C4)C(F)(F)F)[N-]3.[Cu+2]

Isomeric SMILES

C1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C(F)(F)F)C7=CC=CC=C7)C=C4)C(F)(F)F)[N-]3.[Cu+2]

InChI

InChI=1S/C34H18F6N4.Cu/c35-33(36,37)31-25-15-11-21(41-25)29(19-7-3-1-4-8-19)22-12-16-26(42-22)32(34(38,39)40)28-18-14-24(44-28)30(20-9-5-2-6-10-20)23-13-17-27(31)43-23;/h1-18H;/q-2;+2