ChemSpider 2D Image | 5-[(E)-2-{2,5-Bis(octyloxy)-4-[(E)-2-(1-pyrenyl)vinyl]phenyl}vinyl]-2,2'-bipyridine | C52H56N2O2

5-[(E)-2-{2,5-Bis(octyloxy)-4-[(E)-2-(1-pyrenyl)vinyl]phenyl}vinyl]-2,2'-bipyridine

  • Molecular FormulaC52H56N2O2
  • Average mass741.013 Da
  • Monoisotopic mass740.434204 Da
  • ChemSpider ID21189119

  • Double-bond stereo - Double-bond stereo

More details:

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

2,2'-Bipyridine, 5-[(E)-2-[2,5-bis(octyloxy)-4-[(E)-2-(1-pyrenyl)ethenyl]phenyl]ethenyl]- [ACD/Index Name]
5-[(E)-2-{2,5-Bis(octyloxy)-4-[(E)-2-(1-pyrenyl)vinyl]phenyl}vinyl]-2,2'-bipyridin [German] [ACD/IUPAC Name]
5-[(E)-2-{2,5-Bis(octyloxy)-4-[(E)-2-(1-pyrenyl)vinyl]phenyl}vinyl]-2,2'-bipyridine [ACD/IUPAC Name]
5-[(E)-2-{2,5-Bis(octyloxy)-4-[(E)-2-(1-pyrényl)vinyl]phényl}vinyl]-2,2'-bipyridine [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 865.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 121.5±3.0 kJ/mol
Flash Point: 281.1±24.5 °C
Index of Refraction: 1.670
Molar Refractivity: 246.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 21
#Rule of 5 Violations: 2
ACD/LogP: 17.34
ACD/LogD (pH 5.5): 16.47
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 16.49
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 44 Å2
Polarizability: 97.6±0.5 10-24cm3
Surface Tension: 49.8±3.0 dyne/cm
Molar Volume: 659.2±3.0 cm3

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