10,10-dichloro-9,9,11,11-tetracyclohexyl-2-oxa-9λ5,11λ5-diphospha-10-palladatricyclo[10.4.0.03,8]hexadeca-1(16),3,5,7,12,14-hexaene-9,11-bis(ylium)-10,10-diuide

• ChemBase编号: 295088
• 分子式: C36H52Cl2OP2Pd
• 平均质量: 740.071002
• 单一同位素质量: 738.1905309
• SMILES: c1ccc2c(c1)Oc1ccccc1[P+]([Pd-2]([P+]2(C1CCCCC1)C1CCCCC1)(Cl)Cl)(C1CCCCC1)C1CCCCC1
• Canonical SMILES: Cl[Pd-2]1(Cl)[P+](C2CCCCC2)(C2CCCCC2)c2ccccc2Oc2c([P+]1(C1CCCCC1)C1CCCCC1)cccc2
• InChI: InChI=1S/C36H52OP2.2ClH.Pd/c1-5-17-29(18-6-1)38(30-19-7-2-8-20-30)35-27-15-13-25-33(35)37-34-26-14-16-28-36(34)39(31-21-9-3-10-22-31)32-23-11-4-12-24-32;;;/h13-16,25-32H,1-12,17-24H2;2*1H;/q;;;+2/p-2
• InChIKey: HLPUJYHHDIQVAH-UHFFFAOYSA-L

名称和登记号

名称

• IUPAC标准名: 10,10-dichloro-9,9,11,11-tetracyclohexyl-2-oxa-9λ^5,11λ^5-diphospha-10-palladatricyclo[10.4.0.0^3,^8]hexadeca-1(16),3,5,7,12,14-hexaene-9,11-bis(ylium)-10,10-diuide
• IUPAC传统名: 10,10-dichloro-9,9,11,11-tetracyclohexyl-2-oxa-9λ^5,11λ^5-diphospha-10-palladatricyclo[10.4.0.0^3,^8]hexadeca-1(16),3,5,7,12,14-hexaene-9,11-bis(ylium)-10,10-diuide
• 别名: [Bis(dicyclohexylphosphinophenyl)ether]dichloropalladium(II); [Bis(dicyclohexylphosphinophenyl)ether]palladium(II) dichloride; Dichloro[bis(dicyclohexylphosphinophenyl)ether]palladium(II)

登记号

• PubChem SID: 180680619
• PubChem CID: 73994991

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 10.619
• LogD (pH = 7.4): 10.619
• Log P: 10.619
• 摩尔折射率: 180.7588 cm^3
• 极化性: 75.97562 Å^3
• 极化表面积: 9.23 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: false

分子性质

理化性质

• 外观: Solid

安全信息

• TSCA收录: 否