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

• Catalog: OFC1426548039
• CAS: 1426548-03-9
• Category: Fluorinated Catalysts

• IUPAC Name: 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;iridium(3+);1,10-phenanthroline;hexafluorophosphate
• InChI: InChI=1S/C12H8N2.2C11H6F2N.F6P.Ir/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;2*12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;1-7(2,3,4,5)6;/h1-8H;2*1-4,6-7H;;/q;3*-1;+3
• InChI Key: XMEMIPMDLNSGBG-UHFFFAOYSA-N
• Isomeric SMILES: C1=CC=NC(=C1)C2=C(C=C(C=[C-]2)F)F.C1=CC=NC(=C1)C2=C(C=C(C=[C-]2)F)F.C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.F[P-](F)(F)(F)(F)F.[Ir+3]

• Molecular Formula: C34H20F10IrN4P
• Molecular Weight: 897.72

• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 17
• Rotatable Bond Count: 0
• Exact Mass: 898.08951 g/mol
• Monoisotopic Mass: 898.08951 g/mol
• Topological Polar Surface Area: 51.6Ų
• Heavy Atom Count: 50
• Formal Charge: 0
• Complexity: 1090