triphenyl[(triphenyl-λ5-phosphanylidene)amino]phosphanium chloride

• ChemBase ID: 126170
• Molecular Formular: C36H30ClNP2
• Molecular Mass: 574.030622
• Monoisotopic Mass: 573.15420091
• SMILES: [Cl-].N(=P(c1ccccc1)(c1ccccc1)c1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1
• Canonical SMILES: c1ccc(cc1)P(=N[P+](c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-]
• InChI: InChI=1S/C36H30NP2.ClH/c1-7-19-31(20-8-1)38(32-21-9-2-10-22-32,33-23-11-3-12-24-33)37-39(34-25-13-4-14-26-34,35-27-15-5-16-28-35)36-29-17-6-18-30-36;/h1-30H;1H/q+1;/p-1
• InChIKey: LVRCYPYRKNAAMX-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: triphenyl[(triphenyl-λ^5-phosphanylidene)amino]phosphanium chloride
• IUPAC Traditional name: triphenyl[(triphenyl-λ^5-phosphanylidene)amino]phosphanium chloride
• Synonyms: PPN chloride; Bis(triphenylphosphine)iminium chloride; Bis(triphenylphosphoranylidene)iminium chloride; Bis(triphenylphosphoranylidene)ammonium chloride; Hexaphenyldiphosphazenium chloride; Selectophore; Bis(triphenylphosphine)iminium chloride

Database IDs

• CAS Number: 21050-13-5
• PubChem SID: 162220511
• PubChem CID: 3036656
• Chemspider ID: 2300634
• Wikipedia Title: Bis(triphenylphosphine)iminium_chloride

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 10.785056
• LogD (pH = 7.4): 10.785297
• Log P: 10.7853
• Molar Refractivity: 167.96 cm^3
• Polarizability: 65.30522 Å^3
• Polar Surface Area: 12.36 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Solubility: moderate in water
• Apperance: colourless solid
• Melting Point: 260-2 °C
• Density: ?? g/cm^3, solid

Safety Information

• Risk Statements: 36/37/38
• Safety Statements: 26-36