ChemSpider 2D Image | 5-({4-[Bis(4-methoxyphenyl)amino]phenyl}ethynyl)-2-thiophenecarbaldehyde | C27H21NO3S

5-({4-[Bis(4-methoxyphenyl)amino]phenyl}ethynyl)-2-thiophenecarbaldehyde

  • Molecular FormulaC27H21NO3S
  • Average mass439.526 Da
  • Monoisotopic mass439.124207 Da
  • ChemSpider ID26948641

More details:

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

2-Thiophenecarboxaldehyde, 5-[2-[4-[bis(4-methoxyphenyl)amino]phenyl]ethynyl]- [ACD/Index Name]
5-({4-[Bis(4-methoxyphenyl)amino]phenyl}ethinyl)-2-thiophencarbaldehyd [German] [ACD/IUPAC Name]
5-({4-[Bis(4-methoxyphenyl)amino]phenyl}ethynyl)-2-thiophenecarbaldehyde [ACD/IUPAC Name]
5-({4-[Bis(4-méthoxyphényl)amino]phényl}éthynyl)-2-thiophènecarbaldéhyde [French] [ACD/IUPAC Name]
5-(2-(4-(Bis(4-methoxyphenyl)amino)phenyl)ethynyl)thiophene-2-carbaldehyde

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

Density: 1.3±0.1 g/cm3
Boiling Point: 633.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.7±3.0 kJ/mol
Flash Point: 337.1±31.5 °C
Index of Refraction: 1.682
Molar Refractivity: 127.9±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 5.29
ACD/LogD (pH 5.5): 5.48
ACD/BCF (pH 5.5): 8664.73
ACD/KOC (pH 5.5): 22921.09
ACD/LogD (pH 7.4): 5.48
ACD/BCF (pH 7.4): 8664.73
ACD/KOC (pH 7.4): 22921.09
Polar Surface Area: 67 Å2
Polarizability: 50.7±0.5 10-24cm3
Surface Tension: 64.4±5.0 dyne/cm
Molar Volume: 337.7±5.0 cm3

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