Bis[2-(4-fluorophenyl)pyridine][1,10-phenanthroline] iridium(III) hexafluorophosphate

• Catalog: OFC1426547989
• CAS: 1426547-98-9
• Category: Fluorinated Catalysts
• Synonyms: Iridium-bis[5-fluoro-2-(2-pyridinyl-κN)phenyl-κC](1,10-phenanthroline-κN1,κN10)-(OC-6-13)-hexafluorophosphate

• IUPAC Name: 2-(4-fluorobenzene-6-id-1-yl)pyridine;iridium(3+);1,10-phenanthroline;hexafluorophosphate
• InChI: InChI=1S/C12H8N2.2C11H7FN.F6P.Ir/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;2*12-10-6-4-9(5-7-10)11-3-1-2-8-13-11;1-7(2,3,4,5)6;/h1-8H;2*1-4,6-8H;;/q;3*-1;+3
• InChI Key: DPGUARPFAGXWBZ-UHFFFAOYSA-N
• Isomeric SMILES: C1=CC=NC(=C1)C2=[C-]C=C(C=C2)F.C1=CC=NC(=C1)C2=[C-]C=C(C=C2)F.C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.F[P-](F)(F)(F)(F)F.[Ir+3]

• Molecular Formula: C34H22F8IrN4P
• Molecular Weight: 861.74

• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 15
• Rotatable Bond Count: 0
• Exact Mass: 862.10836 g/mol
• Monoisotopic Mass: 862.10836 g/mol
• Topological Polar Surface Area: 51.6Ų
• Heavy Atom Count: 48
• Formal Charge: 0
• Complexity: 999