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

• ChemBase ID: 288045
• Molecular Formular: C39H56OP2
• Molecular Mass: 602.808862
• Monoisotopic Mass: 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

NAMES AND DATABASE IDS

Names

• IUPAC name: dicyclohexyl[5-(dicyclohexylphosphanyl)-9,9-dimethyl-9H-xanthen-4-yl]phosphane
• IUPAC Traditional name: dicyclohexyl[5-(dicyclohexylphosphanyl)-9,9-dimethylxanthen-4-yl]phosphane
• Synonyms: 4,5-Bis(dicyclohexylphosphino)-9,9-dimethyl-9H-xanthene

Database IDs

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

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 10.315491
• LogD (pH = 7.4): 10.434994
• Log P: 10.437
• Molar Refractivity: 191.3755 cm^3
• Polarizability: 72.16269 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: 95+%