ChemSpider 2D Image | (2E)-3-[5'-({4-[Bis(4-methoxyphenyl)amino]phenyl}ethynyl)-2,2'-bithiophen-5-yl]-2-cyanoacrylic acid | C34H24N2O4S2

(2E)-3-[5'-({4-[Bis(4-methoxyphenyl)amino]phenyl}ethynyl)-2,2'-bithiophen-5-yl]-2-cyanoacrylic acid

  • Molecular FormulaC34H24N2O4S2
  • Average mass588.695 Da
  • Monoisotopic mass588.117737 Da
  • ChemSpider ID26948643

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-3-[5'-({4-[Bis(4-methoxyphenyl)amino]phenyl}ethinyl)-2,2'-bithiophen-5-yl]-2-cyanacrylsäure [German] [ACD/IUPAC Name]
(2E)-3-[5'-({4-[Bis(4-methoxyphenyl)amino]phenyl}ethynyl)-2,2'-bithiophen-5-yl]-2-cyanoacrylic acid [ACD/IUPAC Name]
2-Propenoic acid, 3-[5'-[2-[4-[bis(4-methoxyphenyl)amino]phenyl]ethynyl][2,2'-bithiophen]-5-yl]-2-cyano-, (2E)- [ACD/Index Name]
Acide (2E)-3-[5'-({4-[bis(4-méthoxyphényl)amino]phényl}éthynyl)-2,2'-bithiophén-5-yl]-2-cyanoacrylique [French] [ACD/IUPAC Name]
(E)-3-(5-(5-(2-(4-(Bis(4-methoxyphenyl)amino)phenyl)ethynyl)thiophene-2-yl)thiophene-2-yl)-2-cyanoacrylic acid

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

Density: 1.4±0.1 g/cm3
Boiling Point: 814.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 124.1±3.0 kJ/mol
Flash Point: 446.2±34.3 °C
Index of Refraction: 1.723
Molar Refractivity: 165.5±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 7.84
ACD/LogD (pH 5.5): 3.05
ACD/BCF (pH 5.5): 16.35
ACD/KOC (pH 5.5): 23.55
ACD/LogD (pH 7.4): 2.96
ACD/BCF (pH 7.4): 13.12
ACD/KOC (pH 7.4): 18.90
Polar Surface Area: 139 Å2
Polarizability: 65.6±0.5 10-24cm3
Surface Tension: 77.6±5.0 dyne/cm
Molar Volume: 417.8±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement