ChemSpider 2D Image | (6E)-6-({[2-(Bis{2-[(E)-{2-hydroxy-5-[(E)-(4-methoxyphenyl)diazenyl]benzylidene}amino]ethyl}amino)ethyl]amino}methylene)-4-[(E)-(4-methoxyphenyl)diazenyl]-2,4-cyclohexadien-1-one | C48H48N10O6

(6E)-6-({[2-(Bis{2-[(E)-{2-hydroxy-5-[(E)-(4-methoxyphenyl)diazenyl]benzylidene}amino]ethyl}amino)ethyl]amino}methylene)-4-[(E)-(4-methoxyphenyl)diazenyl]-2,4-cyclohexadien-1-one

  • Molecular FormulaC48H48N10O6
  • Average mass860.958 Da
  • Monoisotopic mass860.375854 Da
  • ChemSpider ID30656528

  • Double-bond stereo - Double-bond stereo

More details:

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

(6E)-6-({[2-(Bis{2-[(E)-{2-hydroxy-5-[(E)-(4-methoxyphenyl)diazenyl]benzyliden}amino]ethyl}amino)ethyl]amino}methylen)-4-[(E)-(4-methoxyphenyl)diazenyl]-2,4-cyclohexadien-1-on [German] [ACD/IUPAC Name]
(6E)-6-({[2-(Bis{2-[(E)-{2-hydroxy-5-[(E)-(4-methoxyphenyl)diazenyl]benzylidene}amino]ethyl}amino)ethyl]amino}methylene)-4-[(E)-(4-methoxyphenyl)diazenyl]-2,4-cyclohexadien-1-one [ACD/IUPAC Name]
(6E)-6-({[2-(Bis{2-[(E)-{2-hydroxy-5-[(E)-(4-méthoxyphényl)diazényl]benzylidène}amino]éthyl}amino)éthyl]amino}méthylène)-4-[(E)-(4-méthoxyphényl)diazényl]-2,4-cyclohexadién-1-one [French] [ACD/IUPAC Name]
2,4-Cyclohexadien-1-one, 6-[[[2-[bis[2-[[(1E)-[2-hydroxy-5-[(E)-2-(4-methoxyphenyl)diazenyl]phenyl]methylene]amino]ethyl]amino]ethyl]amino]methylene]-4-[(E)-2-(4-methoxyphenyl)diazenyl]-, (6E)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 989.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 149.2±3.0 kJ/mol
Flash Point: 552.1±34.3 °C
Index of Refraction: 1.628
Molar Refractivity: 246.1±0.5 cm3
#H bond acceptors: 16
#H bond donors: 3
#Freely Rotating Bonds: 21
#Rule of 5 Violations: 3
ACD/LogP: 8.76
ACD/LogD (pH 5.5): 5.43
ACD/BCF (pH 5.5): 1661.75
ACD/KOC (pH 5.5): 1112.78
ACD/LogD (pH 7.4): 6.35
ACD/BCF (pH 7.4): 13865.34
ACD/KOC (pH 7.4): 9284.81
Polar Surface Area: 199 Å2
Polarizability: 97.6±0.5 10-24cm3
Surface Tension: 49.9±7.0 dyne/cm
Molar Volume: 693.2±7.0 cm3

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