ChemSpider 2D Image | 6-[4,6-Bis(2,4-dimethylphenyl)-1,3,5-triazin-2(1H)-ylidene]-2-(octyloxy)-2,4-cyclohexadien-1-one | C33H39N3O2

6-[4,6-Bis(2,4-dimethylphenyl)-1,3,5-triazin-2(1H)-ylidene]-2-(octyloxy)-2,4-cyclohexadien-1-one

  • Molecular FormulaC33H39N3O2
  • Average mass509.682 Da
  • Monoisotopic mass509.304230 Da
  • ChemSpider ID4576711

More details:

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

2,4-Cyclohexadien-1-one, 6-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2(5H)-ylidene]-2-(octyloxy)- [ACD/Index Name]
6-[4,6-Bis(2,4-dimethylphenyl)-1,3,5-triazin-2(1H)-yliden]-2-(octyloxy)-2,4-cyclohexadien-1-on [German] [ACD/IUPAC Name]
6-[4,6-Bis(2,4-dimethylphenyl)-1,3,5-triazin-2(1H)-ylidene]-2-(octyloxy)-2,4-cyclohexadien-1-one [ACD/IUPAC Name]
6-[4,6-Bis(2,4-diméthylphényl)-1,3,5-triazin-2(1H)-ylidène]-2-(octyloxy)-2,4-cyclohexadién-1-one [French] [ACD/IUPAC Name]
[2725-22-6] [RN]
2-[2,6-Bis(2,4-dimethylphenyl)(1H-1,3,5-triazin-4-ylidene)]-6-octyloxycyclohexa-3,5-dien-1-one
6-[2,6-bis(2,4-dimethylphenyl)-1H-1,3,5-triazin-4-ylidene]-2-octoxy-1-cyclohexa-2,4-dienone
6-[4,6-BIS(2,4-DIMETHYLPHENYL)-5H-1,3,5-TRIAZIN-2-YLIDENE]-2-(OCTYLOXY)CYCLOHEXA-2,4-DIEN-1-ONE
MFCD09834146 [MDL number]
PHENOL 2-[4 6-BIS(2 4-DIMETHYLPHENYL)-1 3 5-TRIAZIN-2-YL]-5-(OCTYLOXY)-
More...

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

Density: 1.1±0.1 g/cm3
Boiling Point: 646.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.3±3.0 kJ/mol
Flash Point: 344.5±34.3 °C
Index of Refraction: 1.584
Molar Refractivity: 154.9±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 8.78
ACD/LogD (pH 5.5): 8.26
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 718558.31
ACD/LogD (pH 7.4): 8.28
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 762541.81
Polar Surface Area: 63 Å2
Polarizability: 61.4±0.5 10-24cm3
Surface Tension: 39.0±7.0 dyne/cm
Molar Volume: 462.6±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement