Bis[2-(2,4-difluorophenyl)-5-trifluoromethylpyridine][ 1,10- phenanthroline] iridium(III) hexafluorophosphate

• Catalog: OFC1639408642
• CAS: 1639408-64-2
• Category: Fluorinated Catalysts
• Synonyms: 2-(2,4-difluorophenyl)-5-(trifluoromethyl)pyridine;iridium(3+);1,10-phenanthroline;trihexafluorophosphate
• Purity: >98.00%

• IUPAC Name: 2-(2,4-difluorophenyl)-5-(trifluoromethyl)pyridine;iridium(3+);1,10-phenanthroline;trihexafluorophosphate
• InChI: InChI=1S/2C12H6F5N.C12H8N2.3F6P.Ir/c2*13-8-2-3-9(10(14)5-8)11-4-1-7(6-18-11)12(15,16)17;1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;3*1-7(2,3,4,5)6;/h2*1-6H;1-8H;;;;/q;;;3*-1;+3
• InChI Key: LUCYOMVCZHHYHQ-UHFFFAOYSA-N
• Isomeric SMILES: C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.C1=CC(=C(C=C1F)F)C2=NC=C(C=C2)C(F)(F)F.C1=CC(=C(C=C1F)F)C2=NC=C(C=C2)C(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Ir+3]

• Molecular Formula: C36H18F16IrN4P
• Molecular Weight: 1033.72
• Appearance: Yellow powder
• Storage: -20 °C in the dark place

• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 35
• Rotatable Bond Count: 0
• Exact Mass: 1326.00829 g/mol
• Monoisotopic Mass: 1326.00829 g/mol
• Topological Polar Surface Area: 51.6Ų
• Heavy Atom Count: 73
• Formal Charge: 0
• Complexity: 525