iridium(3+); 5-(1,10-phenanthrolin-5-yl)-1,10-phenanthroline; 6-phenyl-3H-pyridin-3-ide; dihexafluorophosphate

Systemtic Name: iridium(3+); 5-(1,10-phenanthrolin-5-yl)-1,10-phenanthroline; 6-phenyl-3H-pyridin-3-ide; dihexafluorophosphate Openeye Name: iridium(3+); 5-(1,10-phenanthrolin-5-yl)-1,10-phenanthroline; 6-phenyl-3H-pyridin-3-ide; dihexafluorophosphate CAS Name: iridium(3+); 5-(1,10-phenanthrolin-5-yl)-1,10-phenanthroline; 6-phenyl-3H-pyridin-3-ide; dihexafluorophosphate IUPAC Name: iridium(3+); 5-(1,10-phenanthrolin-5-yl)-1,10-phenanthroline; 6-phenyl-3H-pyridin-3-ide; dihexafluorophosphate Traditional Name: iridium(3+); 5-(1,10-phenanthrolin-5-yl)-1,10-phenanthroline; 6-phenyl-3H-pyridin-3-ide; dihexafluorophosphate Formula: C68H46F12Ir2N8P2 MolecularWeight: 1649.5088

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=[C-]C=N2.C1=CC=C(C=C1)C2=CC=[C-]C=N2.C1=CC=C(C=C1)C2=CC=[C-]C=N2.C1=CC=C(C=C1)C2=CC=[C-]C=N2.C1=CC2=CC(=C3C=CC=NC3=C2N=C1)C4=C5C=CC=NC5=C6C(=C4)C=CC=N6.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Ir+3].[Ir+3]

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=[C-]C=N2.C1=CC=C(C=C1)C2=CC=[C-]C=N2.C1=CC=C(C=C1)C2=CC=[C-]C=N2.C1=CC=C(C=C1)C2=CC=[C-]C=N2.C1=CC2=CC(=C3C=CC=NC3=C2N=C1)C4=C5C=CC=NC5=C6C(=C4)C=CC=N6.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Ir+3].[Ir+3]

InChI

InChI=1S/C24H14N4.4C11H8N.2F6P.2Ir/c1-5-15-13-19(17-7-3-11-27-23(17)21(15)25-9-1)20-14-16-6-2-10-26-22(16)24-18(20)8-4-12-28-24;4*1-2-6-10(7-3-1)11-8-4-5-9-12-11;2*1-7(2,3,4,5)6;;/h1-14H;4*1-4,6-9H;;;;/q;6*-1;2*+3