{[2-(diphenylphosphoroso)ethyl](phenyl)phosphoroso}benzene

• ChemBase ID: 79650
• Molecular Formular: C26H24O2P2
• Molecular Mass: 430.415082
• Monoisotopic Mass: 430.12515327
• SMILES: P(=O)(c1ccccc1)(c1ccccc1)CCP(=O)(c1ccccc1)c1ccccc1
• Canonical SMILES: O=P(c1ccccc1)(c1ccccc1)CCP(=O)(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C26H24O2P2/c27-29(23-13-5-1-6-14-23,24-15-7-2-8-16-24)21-22-30(28,25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-20H,21-22H2
• InChIKey: YIMUMKVZUBHTPB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {[2-(diphenylphosphoroso)ethyl](phenyl)phosphoroso}benzene
• IUPAC Traditional name: [2-(diphenylphosphoroso)ethyl(phenyl)phosphoroso]benzene
• Synonyms: Bis(diphenylphosphino)ethane dioxide; 1,2-Bis(diphenylphosphoryl)ethane

Database IDs

• MDL Number: MFCD00013907
• PubChem SID: 162044413
• PubChem CID: 259102

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 5.7108
• LogD (pH = 7.4): 5.7108
• Log P: 5.7108
• Molar Refractivity: 124.9394 cm^3
• Polarizability: 49.668026 Å^3
• Polar Surface Area: 34.14 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Warning: Harmful/Irritant