bromo[3-(bromotriphenyl-$l^{5}-phosphanyl)propyl]triphenyl-$l^{5}-phosphane

• ChemBase ID: 79649
• Molecular Formular: C39H36Br2P2
• Molecular Mass: 726.458662
• Monoisotopic Mass: 724.06589841
• SMILES: P(c1ccccc1)(c1ccccc1)(c1ccccc1)(Br)CCCP(c1ccccc1)(c1ccccc1)(c1ccccc1)Br
• Canonical SMILES: BrP(c1ccccc1)(c1ccccc1)(c1ccccc1)CCCP(c1ccccc1)(c1ccccc1)(c1ccccc1)Br
• InChI: InChI=1S/C39H36Br2P2/c40-42(34-20-7-1-8-21-34,35-22-9-2-10-23-35,36-24-11-3-12-25-36)32-19-33-43(41,37-26-13-4-14-27-37,38-28-15-5-16-29-38)39-30-17-6-18-31-39/h1-18,20-31H,19,32-33H2
• InChIKey: WFBRUEKTFHHPBB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bromo[3-(bromotriphenyl-$l^{5}-phosphanyl)propyl]triphenyl-$l^{5}-phosphane
• IUPAC Traditional name: bromo[3-(bromotriphenyl-$l^{5}-phosphanyl)propyl]triphenyl-$l^{5}-phosphane
• Synonyms: bromo[3-(1-bromo-1,1,1-triphenylphosphoranyl)propyl]triphenylphosphorane

Database IDs

• MDL Number: MFCD00114911
• PubChem SID: 162044412
• PubChem CID: 2775289

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 11.9395
• LogD (pH = 7.4): 11.9395
• Log P: 11.9395
• Molar Refractivity: 195.1172 cm^3
• Polarizability: 75.79404 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: false