tris(2-phenylphenyl) phosphate

• ChemBase ID: 112176
• Molecular Formular: C36H27O4P
• Molecular Mass: 554.570941
• Monoisotopic Mass: 554.16469597
• SMILES: O=P(Oc1ccccc1c1ccccc1)(Oc1ccccc1c1ccccc1)Oc1ccccc1c1ccccc1
• Canonical SMILES: O=P(Oc1ccccc1c1ccccc1)(Oc1ccccc1c1ccccc1)Oc1ccccc1c1ccccc1
• InChI: InChI=1S/C36H27O4P/c37-41(38-34-25-13-10-22-31(34)28-16-4-1-5-17-28,39-35-26-14-11-23-32(35)29-18-6-2-7-19-29)40-36-27-15-12-24-33(36)30-20-8-3-9-21-30/h1-27H
• InChIKey: QEEHNBQLHFJCOV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tris(2-phenylphenyl) phosphate
• IUPAC Traditional name: tris(2-phenylphenyl) phosphate
• Synonyms: TRIS(2-BIPHENYLYL) PHOSPHATE

Database IDs

• CAS Number: 132-28-5
• PubChem SID: 162098212
• PubChem CID: 67233

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 10.02933
• LogD (pH = 7.4): 10.02933
• Log P: 10.02933
• Molar Refractivity: 162.8402 cm^3
• Polarizability: 67.88245 Å^3
• Polar Surface Area: 44.76 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: false

DETAILS

MP Biomedicals - 05222823

MP Biomedicals Rare Chemical collection