4,7-diphenyl-1,10-phenanthroline; iridium(3+); trihexafluorophosphate

Systemtic Name: 4,7-diphenyl-1,10-phenanthroline; iridium(3+); trihexafluorophosphate Openeye Name: 4,7-diphenyl-1,10-phenanthroline; iridium(3+); trihexafluorophosphate CAS Name: 4,7-diphenyl-1,10-phenanthroline; iridium(3+); trihexafluorophosphate IUPAC Name: 4,7-diphenyl-1,10-phenanthroline; iridium(3+); trihexafluorophosphate Traditional Name: 4,7-diphenyl-1,10-phenanthroline; iridium(3+); trihexafluorophosphate Formula: C72H48F18IrN6P3 MolecularWeight: 1624.301261

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C3C=CC4=C(C=CN=C4C3=NC=C2)C5=CC=CC=C5.C1=CC=C(C=C1)C2=C3C=CC4=C(C=CN=C4C3=NC=C2)C5=CC=CC=C5.C1=CC=C(C=C1)C2=C3C=CC4=C(C=CN=C4C3=NC=C2)C5=CC=CC=C5.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Ir+3]

Isomeric SMILES

C1=CC=C(C=C1)C2=C3C=CC4=C(C=CN=C4C3=NC=C2)C5=CC=CC=C5.C1=CC=C(C=C1)C2=C3C=CC4=C(C=CN=C4C3=NC=C2)C5=CC=CC=C5.C1=CC=C(C=C1)C2=C3C=CC4=C(C=CN=C4C3=NC=C2)C5=CC=CC=C5.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Ir+3]

InChI

InChI=1S/3C24H16N2.3F6P.Ir/c3*1-3-7-17(8-4-1)19-13-15-25-23-21(19)11-12-22-20(14-16-26-24(22)23)18-9-5-2-6-10-18;3*1-7(2,3,4,5)6;/h3*1-16H;;;;/q;;;3*-1;+3