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 ID: 295088
• Molecular Formular: C36H52Cl2OP2Pd
• Molecular Mass: 740.071002
• Monoisotopic Mass: 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

NAMES AND DATABASE IDS

Names

• IUPAC name: 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 Traditional name: 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
• Synonyms: [Bis(dicyclohexylphosphinophenyl)ether]dichloropalladium(II); [Bis(dicyclohexylphosphinophenyl)ether]palladium(II) dichloride; Dichloro[bis(dicyclohexylphosphinophenyl)ether]palladium(II)

Database IDs

• PubChem SID: 180680619
• PubChem CID: 73994991

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 10.619
• LogD (pH = 7.4): 10.619
• Log P: 10.619
• Molar Refractivity: 180.7588 cm^3
• Polarizability: 75.97562 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: Solid

Safety Information

• TSCA Listed: 否