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

• ChemBase编号: 79648
• 分子式: C40H38Br2P2
• 平均质量: 740.485242
• 单一同位素质量: 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

名称和登记号

名称

• IUPAC标准名: bromo[4-(bromotriphenyl-$l^{5}-phosphanyl)butyl]triphenyl-$l^{5}-phosphane
• IUPAC传统名: bromo[4-(bromotriphenyl-$l^{5}-phosphanyl)butyl]triphenyl-$l^{5}-phosphane
• 别名: bromo[4-(1-bromo-1,1,1-triphenylphosphoranyl)butyl]triphenylphosphorane

登记号

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

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 12.3908
• LogD (pH = 7.4): 12.3908
• Log P: 12.3908
• 摩尔折射率: 199.7618 cm^3
• 极化性: 77.63499 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 11
• 里宾斯基五规则: false