fac-Ir((3-tBu-phenyl)-4-tBu-py))3

• Catalog: OFC1311386932
• CAS: 1311386-93-2
• Category: Fluorinated Catalysts
• Synonyms: Ir[P-F(T-Bu)-Ppy]3
• Purity: >95.00%

• IUPAC Name: 4-tert-butyl-2-(4-fluorophenyl)pyridine;iridium
• InChI: InChI=1S/3C15H16FN.Ir/c3*1-15(2,3)12-8-9-17-14(10-12)11-4-6-13(16)7-5-11;/h3*4-10H,1-3H3
• InChI Key: RGVRXQPZPHCKET-UHFFFAOYSA-N
• Isomeric SMILES: CC(C)(C)C1=CC(=NC=C1)C2=CC=C(C=C2)F.CC(C)(C)C1=CC(=NC=C1)C2=CC=C(C=C2)F.CC(C)(C)C1=CC(=NC=C1)C2=CC=C(C=C2)F.[Ir]

• Molecular Formula: C45H45F3IrN3
• Molecular Weight: 877.09
• Appearance: Yellow powder
• Storage: -20 °C in the dark place

• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 880.34296 g/mol
• Monoisotopic Mass: 880.34296 g/mol
• Topological Polar Surface Area: 38.7Ų
• Heavy Atom Count: 52
• Formal Charge: 0
• Complexity: 238