copper 5,10,15,20-tetraphenyl-2,3,12,13-tetrakis(trifluoromethyl)porphyrin-21,23-diide

Systemtic Name: copper 5,10,15,20-tetraphenyl-2,3,12,13-tetrakis(trifluoromethyl)porphyrin-21,23-diide Openeye Name: copper 5,10,15,20-tetraphenyl-2,3,12,13-tetrakis(trifluoromethyl)porphyrin-21,23-diide CAS Name: copper 5,10,15,20-tetraphenyl-2,3,12,13-tetrakis(trifluoromethyl)porphyrin-21,23-diide IUPAC Name: copper 5,10,15,20-tetraphenyl-2,3,12,13-tetrakis(trifluoromethyl)porphyrin-21,23-diide Traditional Name: cupric 5,10,15,20-tetraphenyl-2,3,12,13-tetrakis(trifluoromethyl)porphine-21,23-diide Formula: C48H24CuF12N4 MolecularWeight: 948.257798

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C3C=CC(=N3)C(=C4C(=C(C(=C(C5=NC(=C(C6=C(C(=C2[N-]6)C(F)(F)F)C(F)(F)F)C7=CC=CC=C7)C=C5)C8=CC=CC=C8)[N-]4)C(F)(F)F)C(F)(F)F)C9=CC=CC=C9.[Cu+2]

Isomeric SMILES

C1=CC=C(C=C1)C2=C3C=CC(=N3)C(=C4C(=C(C(=C(C5=NC(=C(C6=C(C(=C2[N-]6)C(F)(F)F)C(F)(F)F)C7=CC=CC=C7)C=C5)C8=CC=CC=C8)[N-]4)C(F)(F)F)C(F)(F)F)C9=CC=CC=C9.[Cu+2]

InChI

InChI=1S/C48H24F12N4.Cu/c49-45(50,51)37-38(46(52,53)54)42-35(27-17-9-3-10-18-27)31-23-24-32(62-31)36(28-19-11-4-12-20-28)44-40(48(58,59)60)39(47(55,56)57)43(64-44)34(26-15-7-2-8-16-26)30-22-21-29(61-30)33(41(37)63-42)25-13-5-1-6-14-25;/h1-24H;/q-2;+2