dicyclohexyl[5-(dicyclohexylphosphanyl)-9,9-dimethyl-9H-xanthen-4-yl]phosphane

• ChemBase编号: 288045
• 分子式: C39H56OP2
• 平均质量: 602.808862
• 单一同位素质量: 602.38063967
• SMILES: CC1(C)c2c(Oc3c1cccc3P(C1CCCCC1)C1CCCCC1)c(P(C1CCCCC1)C1CCCCC1)ccc2
• Canonical SMILES: CC1(C)c2cccc(c2Oc2c1cccc2P(C1CCCCC1)C1CCCCC1)P(C1CCCCC1)C1CCCCC1
• InChI: InChI=1S/C39H56OP2/c1-39(2)33-25-15-27-35(41(29-17-7-3-8-18-29)30-19-9-4-10-20-30)37(33)40-38-34(39)26-16-28-36(38)42(31-21-11-5-12-22-31)32-23-13-6-14-24-32/h15-16,25-32H,3-14,17-24H2,1-2H3
• InChIKey: KFSJDZIGSNSKSJ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: dicyclohexyl[5-(dicyclohexylphosphanyl)-9,9-dimethyl-9H-xanthen-4-yl]phosphane
• IUPAC传统名: dicyclohexyl[5-(dicyclohexylphosphanyl)-9,9-dimethylxanthen-4-yl]phosphane
• 别名: 4,5-Bis(dicyclohexylphosphino)-9,9-dimethyl-9H-xanthene

登记号

• CAS号: 940934-47-4
• MDL号: MFCD11559064
• PubChem SID: 180673576
• PubChem CID: 16202676

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 10.315491
• LogD (pH = 7.4): 10.434994
• Log P: 10.437
• 摩尔折射率: 191.3755 cm^3
• 极化性: 72.16269 Å^3
• 极化表面积: 9.23 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: false

分子性质

产品相关信息

• 纯度: 95+%