triphenyl(phenylmethylidene)-$l^{5}-phosphane

• ChemBase ID: 111523
• Molecular Formular: C25H21P
• Molecular Mass: 352.408001
• Monoisotopic Mass: 352.1380873
• SMILES: c1ccc(cc1)C=P(c1ccccc1)(c1ccccc1)c1ccccc1
• Canonical SMILES: c1ccc(cc1)C=P(c1ccccc1)(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C25H21P/c1-5-13-22(14-6-1)21-26(23-15-7-2-8-16-23,24-17-9-3-10-18-24)25-19-11-4-12-20-25/h1-21H
• InChIKey: BHOMJBFLUFSZLW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: triphenyl(phenylmethylidene)-$l^{5}-phosphane
• IUPAC Traditional name: triphenyl(phenylmethylidene)-$l^{5}-phosphane
• Synonyms: BENZYLTRIPHENYLPHOSPHONIUM IODIDE

Database IDs

• CAS Number: 1243-97-6
• PubChem SID: 162097246
• PubChem CID: 140127

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 7.6632
• LogD (pH = 7.4): 7.6632
• Log P: 7.6632
• Molar Refractivity: 112.8839 cm^3
• Polarizability: 44.149582 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• RTECS: TA1846500

DETAILS

MP Biomedicals - 05219646

MP Biomedicals Rare Chemical collection