[4,4'-Bis-trifluoromethyl]bis[(5-fluoro-2-(5-methyl-2-pyridinyl)phenyl]iridium(III) hexafluorophosphate

• Catalog: OFC2773544957
• CAS: 2773544-95-7
• Category: Fluorinated Catalysts
• Synonyms: 4,4'-Bis-trifluoromethyl]bis[(5-fluoro-2-(5-methyl-2-pyridinyl)phenyl]iridium(III) hexafluorophosphate
• Purity: 97%

• IUPAC Name: 2-(4-fluorobenzene-6-id-1-yl)-5-methylpyridine;iridium(3+);4-(trifluoromethyl)-2-[4-(trifluoromethyl)pyridin-2-yl]pyridine;hexafluorophosphate
• InChI: InChI=1S/C12H6F6N2.2C12H9FN.F6P.Ir/c13-11(14,15)7-1-3-19-9(5-7)10-6-8(2-4-20-10)12(16,17)18;2*1-9-2-7-12(14-8-9)10-3-5-11(13)6-4-10;1-7(2,3,4,5)6;/h1-6H;2*2-3,5-8H,1H3;;/q;3*-1;+3
• InChI Key: YAKNDCSTJXNGCT-UHFFFAOYSA-N
• Isomeric SMILES: CC1=CN=C(C=C1)C2=[C-]C=C(C=C2)F.CC1=CN=C(C=C1)C2=[C-]C=C(C=C2)F.C1=CN=C(C=C1C(F)(F)F)C2=NC=CC(=C2)C(F)(F)F.F[P-](F)(F)(F)(F)F.[Ir+3]

• Molecular Formula: C36H24F14IrN4P
• Molecular Weight: 1001.77
• Storage: Keep in dark place, inert atmosphere, room temperature

• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 21
• Rotatable Bond Count: 0
• Exact Mass: 1002.11443 g/mol
• Monoisotopic Mass: 1002.11443 g/mol
• Topological Polar Surface Area: 51.6Ų
• Heavy Atom Count: 56
• Formal Charge: 0
• Complexity: 1110