tetraphenylphosphanium

• ChemBase ID: 2505
• Molecular Formular: C24H20P+
• Molecular Mass: 339.389361
• Monoisotopic Mass: 339.13026227
• SMILES: c1ccc(cc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1
• Canonical SMILES: c1ccc(cc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C24H20P/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20H/q+1
• InChIKey: USFPINLPPFWTJW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tetraphenylphosphanium
• IUPAC Traditional name: tetraphenylphosphonium
• Synonyms: Tetraphenylphosphonium

Database IDs

• CAS Number: 18198-39-5
• PubChem SID: 160965955; 46509180
• PubChem CID: 164912

CALCULATED PROPERTIES

JChem

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 6.0781937
• LogD (pH = 7.4): 6.0781937
• Log P: 6.0781937
• Molar Refractivity: 107.0972 cm^3
• Polarizability: 42.196945 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

ALOGPS 2.1

• Log P: 6.63
• LOG S: -7.92
• Solubility (Water): 4.50e-06 g/l

DETAILS

DrugBank - DB02791

• Drug Groups: experimental
• External Links: Wikipedia