bromo[4-(bromotriphenyl-$l^{5}-phosphanyl)butyl]triphenyl-$l^{5}-phosphane

• ChemBase ID: 79648
• Molecular Formular: C40H38Br2P2
• Molecular Mass: 740.485242
• Monoisotopic Mass: 738.08154848
• SMILES: P(c1ccccc1)(c1ccccc1)(c1ccccc1)(Br)CCCCP(c1ccccc1)(c1ccccc1)(c1ccccc1)Br
• Canonical SMILES: BrP(c1ccccc1)(c1ccccc1)(c1ccccc1)CCCCP(c1ccccc1)(c1ccccc1)(c1ccccc1)Br
• InChI: InChI=1S/C40H38Br2P2/c41-43(35-21-7-1-8-22-35,36-23-9-2-10-24-36,37-25-11-3-12-26-37)33-19-20-34-44(42,38-27-13-4-14-28-38,39-29-15-5-16-30-39)40-31-17-6-18-32-40/h1-18,21-32H,19-20,33-34H2
• InChIKey: PVMJTKSBSOUVKP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bromo[4-(bromotriphenyl-$l^{5}-phosphanyl)butyl]triphenyl-$l^{5}-phosphane
• IUPAC Traditional name: bromo[4-(bromotriphenyl-$l^{5}-phosphanyl)butyl]triphenyl-$l^{5}-phosphane
• Synonyms: bromo[4-(1-bromo-1,1,1-triphenylphosphoranyl)butyl]triphenylphosphorane

Database IDs

• MDL Number: MFCD00114910
• PubChem SID: 162044411
• PubChem CID: 2775287

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 12.3908
• LogD (pH = 7.4): 12.3908
• Log P: 12.3908
• Molar Refractivity: 199.7618 cm^3
• Polarizability: 77.63499 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: false