Bis[2-(2-fluoro-4-(trifluoromethyl)phenyl)-5-(trifluoromethyl)pyridine][1, 10-phenanthroline] iridium(III) hexafluorophosphate

• Catalog: OFC2828437790
• CAS: 2828437-79-0
• Category: Fluorinated Metal Complexes
• Synonyms: Iridium-(1,10-phenanthroline-kappan1,kappan10)bis[(3-fluoro-5-trifluoromethyl)-2-(5-trifluoromethyl-2-pyridinyl-kappan)phenyl-kappac]-hexafluorophosphate

• IUPAC Name: 2-[2-fluoro-4-(trifluoromethyl)benzene-6-id-1-yl]-5-(trifluoromethyl)pyridine;iridium(3+);1,10-phenanthroline;hexafluorophosphate
• InChI: InChI=1S/2C13H5F7N.C12H8N2.F6P.Ir/c2*14-10-5-7(12(15,16)17)1-3-9(10)11-4-2-8(6-21-11)13(18,19)20;1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;1-7(2,3,4,5)6;/h2*1-2,4-6H;1-8H;;/q2*-1;;-1;+3
• InChI Key: UWJJJWDVMHERHQ-UHFFFAOYSA-N
• Isomeric SMILES: C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.C1=CC(=NC=C1C(F)(F)F)C2=C(C=C(C=[C-]2)C(F)(F)F)F.C1=CC(=NC=C1C(F)(F)F)C2=C(C=C(C=[C-]2)C(F)(F)F)F.F[P-](F)(F)(F)(F)F.[Ir+3]

• Molecular Formula: C38H18F20IrN4P
• Molecular Weight: 1133.74

• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 27
• Rotatable Bond Count: 0
• Exact Mass: 1134.05790 g/mol
• Monoisotopic Mass: 1134.05790 g/mol
• Topological Polar Surface Area: 51.6Ų
• Heavy Atom Count: 64
• Formal Charge: 0
• Complexity: 1500