dicyclohexyl[2-(phenanthren-9-yl)phenyl]phosphane

• ChemBase ID: 180441
• Molecular Formular: C32H35P
• Molecular Mass: 450.594061
• Monoisotopic Mass: 450.24763775
• SMILES: P(c1c(cccc1)c1c2c(c3ccccc3c1)cccc2)(C1CCCCC1)C1CCCCC1
• Canonical SMILES: C1CCC(CC1)P(c1ccccc1c1cc2ccccc2c2c1cccc2)C1CCCCC1
• InChI: InChI=1S/C32H35P/c1-3-14-25(15-4-1)33(26-16-5-2-6-17-26)32-22-12-11-21-30(32)31-23-24-13-7-8-18-27(24)28-19-9-10-20-29(28)31/h7-13,18-23,25-26H,1-6,14-17H2
• InChIKey: XVHJMCHKRAOXKF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dicyclohexyl[2-(phenanthren-9-yl)phenyl]phosphane
• IUPAC Traditional name: dicyclohexyl[2-(phenanthren-9-yl)phenyl]phosphane
• Synonyms: Phosphine, dicyclohexyl[2-(9-phenanthrenyl)phenyl]-

Database IDs

• CAS Number: 405919-41-7
• PubChem SID: 164236351
• PubChem CID: 22147288

CALCULATED PROPERTIES

• Polarizability: 60.096077 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 8.317433
• LogD (pH = 7.4): 8.518205
• Log P: 8.8172
• Molar Refractivity: 142.0343 cm^3