(Ir[dF(CF3)ppy]2(bpy))PF6

• Catalog: OFC1092775615
• CAS: 1092775-61-5
• Category: Fluorinated Catalysts
• Synonyms: Iridium(1+), (2,2'-bipyridine-κN1,κN1')bis[3,5-difluoro-2-[5-(trifluoromethyl)-2-pyridinyl-κN]phenyl-κC]-, (OC-6-33)-
• MDL Number: MFCD28987331

• IUPAC Name: 2-(2,4-difluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine;iridium(3+);2-pyridin-2-ylpyridine;hexafluorophosphate
• InChI: InChI=1S/2C12H12F5N.C10H12N2.F6P.Ir/c2*13-8-2-3-9(10(14)5-8)11-4-1-7(6-18-11)12(15,16)17;1-3-7-11-9(5-1)10-6-2-4-8-12-10;1
• InChI Key: FINGSNSDPWKYLB-YQVPYEJZSA-N
• Isomeric SMILES: C1=CC=NC(=C1)C2=CC=CC=N2.C1=CC(=NC=C1C(F)(F)F)C2=C(C=C(C=[C-]2)F)F.C1=CC(=NC=C1C(F)(F)F)C2=C(C=C(C=[C-]2)F)F.F[P-](F)(F)(F)(F)F.[Ir+3]
• Canonical SMILES: FP(F)(F)(F)(F)F.FC1=CC(F)[C@@H]2[C@H](C1)[Ir]13([C@H]4CC(=C[C@H](C4C4=CC[C@H](CN14)C(F)(F)F)F)F)([N]1=CC=CC[C@H]1C1=CCCC=[N]31)N1C2=CC[C@H](C1)C(F)(F)F

• Molecular Formula: C34H36F16IrN4P
• Molecular Weight: 1027.84
• Melting Point: >300 °C
• Appearance: Yellow crystalline solid or powder

• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 23
• Rotatable Bond Count: 3
• Exact Mass: 1027.8534
• Monoisotopic Mass: 1027.8534
• Topological Polar Surface Area: 51.6Ų
• Heavy Atom Count: 56
• Formal Charge: 0
• Complexity: 1110