triphenyl[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-yl]phosphanium bromide

• ChemBase ID: 169620
• Molecular Formular: C38H48BrP
• Molecular Mass: 615.665481
• Monoisotopic Mass: 614.26770017
• SMILES: C(=CCC/C(=C/CC/C(=C/CC/C(=C/C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)/C)/C)/C)(C)C.[Br-]
• Canonical SMILES: C/C(=C\CC/C(=C/C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)/C)/CC/C=C(/CCC=C(C)C)\C.[Br-]
• InChI: InChI=1S/C38H48P.BrH/c1-32(2)18-15-19-33(3)20-16-21-34(4)22-17-23-35(5)30-31-39(36-24-9-6-10-25-36,37-26-11-7-12-27-37)38-28-13-8-14-29-38;/h6-14,18,20,22,24-30H,15-17,19,21,23,31H2,1-5H3;1H/q+1;/p-1/b33-20+,34-22+,35-30+
• InChIKey: CWHVATRDOJOHPG-CKLVJSNMSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: triphenyl[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-yl]phosphanium bromide
• IUPAC Traditional name: triphenyl[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-yl]phosphanium bromide
• Synonyms: Triphenyl[(2E,6E,10E)-3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraenyl]phosphonium Bromide; Geranylgeranyltriphenylphosphonium Bromide

Database IDs

• CAS Number: 57784-37-9
• PubChem SID: 162263752
• PubChem CID: 71317065

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 10.96818
• LogD (pH = 7.4): 10.96818
• Log P: 10.96818
• Molar Refractivity: 177.7472 cm^3
• Polarizability: 68.612305 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 14
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Solubility: Dichloromethane; Methanol
• Apperance: Pale Yellow Solid

Safety Information

• Storage Condition: -20°C Freezer