5-chloranyl-1,10-phenanthroline; iridium(3+); 6-phenyl-3H-pyridin-3-ide; hexafluorophosphate

Systemtic Name: 5-chloranyl-1,10-phenanthroline; iridium(3+); 6-phenyl-3H-pyridin-3-ide; hexafluorophosphate Openeye Name: 5-chloro-1,10-phenanthroline; iridium(3+); 6-phenyl-3H-pyridin-3-ide; hexafluorophosphate CAS Name: 5-chloro-1,10-phenanthroline; iridium(3+); 6-phenyl-3H-pyridin-3-ide; hexafluorophosphate IUPAC Name: 5-chloro-1,10-phenanthroline; iridium(3+); 6-phenyl-3H-pyridin-3-ide; hexafluorophosphate Traditional Name: 5-chloro-1,10-phenanthroline; iridium(3+); 6-phenyl-3H-pyridin-3-ide; hexafluorophosphate Formula: C34H23ClF6IrN4P MolecularWeight: 860.2074

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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=CC2=CC(=C3C=CC=NC3=C2N=C1)Cl.F[P-](F)(F)(F)(F)F.[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=CC2=CC(=C3C=CC=NC3=C2N=C1)Cl.F[P-](F)(F)(F)(F)F.[Ir+3]

InChI

InChI=1S/C12H7ClN2.2C11H8N.F6P.Ir/c13-10-7-8-3-1-5-14-11(8)12-9(10)4-2-6-15-12;2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-7(2,3,4,5)6;/h1-7H;2*1-4,6-9H;;/q;3*-1;+3