ChemSpider 2D Image | 4-(1-Pyrenyl)butyl 4-[4-(3,3,4,4,5,5-hexafluoro-2-{2-methyl-5-[4-(octyloxy)phenyl]-3-thienyl}-1-cyclopenten-1-yl)-5-methyl-2-thienyl]benzoate | C56H50F6O3S2

4-(1-Pyrenyl)butyl 4-[4-(3,3,4,4,5,5-hexafluoro-2-{2-methyl-5-[4-(octyloxy)phenyl]-3-thienyl}-1-cyclopenten-1-yl)-5-methyl-2-thienyl]benzoate

  • Molecular FormulaC56H50F6O3S2
  • Average mass949.115 Da
  • Monoisotopic mass948.310547 Da
  • ChemSpider ID30660322

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

4-(1-Pyrenyl)butyl 4-[4-(3,3,4,4,5,5-hexafluoro-2-{2-methyl-5-[4-(octyloxy)phenyl]-3-thienyl}-1-cyclopenten-1-yl)-5-methyl-2-thienyl]benzoate [ACD/IUPAC Name]
4-(1-Pyrenyl)butyl-4-[4-(3,3,4,4,5,5-hexafluor-2-{2-methyl-5-[4-(octyloxy)phenyl]-3-thienyl}-1-cyclopenten-1-yl)-5-methyl-2-thienyl]benzoat [German] [ACD/IUPAC Name]
4-[4-(3,3,4,4,5,5-Hexafluoro-2-{2-méthyl-5-[4-(octyloxy)phényl]-3-thiényl}-1-cyclopentén-1-yl)-5-méthyl-2-thiényl]benzoate de 4-(1-pyrényl)butyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[4-[3,3,4,4,5,5-hexafluoro-2-[2-methyl-5-[4-(octyloxy)phenyl]-3-thienyl]-1-cyclopenten-1-yl]-5-methyl-2-thienyl]-, 4-(1-pyrenyl)butyl ester [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.655
Molar Refractivity: 261.1±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 2
ACD/LogP: 18.69
ACD/LogD (pH 5.5): 17.28
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 17.28
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 92 Å2
Polarizability: 103.5±0.5 10-24cm3
Surface Tension: 56.1±5.0 dyne/cm
Molar Volume: 711.2±5.0 cm3

Click to predict properties on the Chemicalize site


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