triphenyl[tris(triphenyl-λ5-phosphanyl)palladio]-λ5-phosphane

• ChemBase ID: 797530
• Molecular Formular: C72H60P4Pd
• Molecular Mass: 1155.561844
• Monoisotopic Mass: 1154.26803444
• SMILES: [Pd](P(c1ccccc1)(c1ccccc1)c1ccccc1)(P(c1ccccc1)(c1ccccc1)c1ccccc1)(P(c1ccccc1)(c1ccccc1)c1ccccc1)P(c1ccccc1)(c1ccccc1)c1ccccc1
• Canonical SMILES: c1ccc(cc1)P([Pd](P(c1ccccc1)(c1ccccc1)c1ccccc1)(P(c1ccccc1)(c1ccccc1)c1ccccc1)P(c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
• InChI: InChI=1S/4C18H15P.Pd/c4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;/h4*1-15H;/q;;;;-4/p+4
• InChIKey: KCAOQNVLPCNWSX-UHFFFAOYSA-R

NAMES AND DATABASE IDS

Names

• IUPAC name: triphenyl[tris(triphenyl-λ^5-phosphanyl)palladio]-λ^5-phosphane
• IUPAC Traditional name: triphenyl[tris(triphenyl-λ^5-phosphanyl)palladio]-λ^5-phosphane
• Synonyms: Tetrakis(triphenylphosphine)palladium

Database IDs

• CAS Number: 14221-01-3

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 19.1224
• LogD (pH = 7.4): 19.1224
• Log P: 19.1224
• Molar Refractivity: 329.6916 cm^3
• Polarizability: 134.78793 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 16
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: 97%