tricyclohexyl[dichloro(phenylmethylidene)(tricyclohexyl-λ5-phosphanyl)ruthenio]-λ5-phosphane

• ChemBase编号: 796467
• 分子式: C43H72Cl2P2Ru
• 平均质量: 822.955302
• 单一同位素质量: 822.35297992
• SMILES: [Ru](=Cc1ccccc1)(Cl)(Cl)(P(C1CCCCC1)(C1CCCCC1)C1CCCCC1)P(C1CCCCC1)(C1CCCCC1)C1CCCCC1
• Canonical SMILES: Cl[Ru](=Cc1ccccc1)(P(C1CCCCC1)(C1CCCCC1)C1CCCCC1)(P(C1CCCCC1)(C1CCCCC1)C1CCCCC1)Cl
• InChI: InChI=1S/2C18H33P.C7H6.2ClH.Ru/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-7-5-3-2-4-6-7;;;/h2*16-18H,1-15H2;1-6H;2*1H
• InChIKey: AULHKSXXVKDNBT-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: tricyclohexyl[dichloro(phenylmethylidene)(tricyclohexyl-λ^5-phosphanyl)ruthenio]-λ^5-phosphane
• IUPAC传统名: tricyclohexyl[dichloro(phenylmethylidene)(tricyclohexyl-λ^5-phosphanyl)ruthenio]-λ^5-phosphane
• 别名: Benzylidenebis(tricyclohexylphosphine)dichlororutheniuM

登记号

• CAS号: 172222-30-9

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 13.0184
• LogD (pH = 7.4): 13.0184
• Log P: 13.0184
• 摩尔折射率: 215.9658 cm^3
• 极化性: 89.82434 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 9
• 里宾斯基五规则: false

分子性质

产品相关信息

• 纯度: 97%