ChemSpider 2D Image | (6Z,6'E)-6,6'-[6-(1-Benzyl-1H-pyrrol-2-yl)-1,3,5-triazine-2,4(1H,3H)-diylidene]bis{3-[(2-ethylhexyl)oxy]-2,4-cyclohexadien-1-one} | C42H52N4O4

(6Z,6'E)-6,6'-[6-(1-Benzyl-1H-pyrrol-2-yl)-1,3,5-triazine-2,4(1H,3H)-diylidene]bis{3-[(2-ethylhexyl)oxy]-2,4-cyclohexadien-1-one}

  • Molecular FormulaC42H52N4O4
  • Average mass676.887 Da
  • Monoisotopic mass676.398856 Da
  • ChemSpider ID13176978

  • Double-bond stereo - Double-bond stereo

More details:

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

(6Z,6'E)-6,6'-[6-(1-Benzyl-1H-pyrrol-2-yl)-1,3,5-triazin-2,4(1H,3H)-diyliden]bis{3-[(2-ethylhexyl)oxy]-2,4-cyclohexadien-1-on} [German] [ACD/IUPAC Name]
(6Z,6'E)-6,6'-[6-(1-Benzyl-1H-pyrrol-2-yl)-1,3,5-triazine-2,4(1H,3H)-diylidene]bis{3-[(2-ethylhexyl)oxy]-2,4-cyclohexadien-1-one} [ACD/IUPAC Name]
(6Z,6'E)-6,6'-[6-(1-Benzyl-1H-pyrrol-2-yl)-1,3,5-triazine-2,4(1H,3H)-diylidène]bis{3-[(2-éthylhexyl)oxy]-2,4-cyclohexadién-1-one} [French] [ACD/IUPAC Name]
2,4-Cyclohexadien-1-one, 6,6'-[6-[1-(phenylmethyl)-1H-pyrrol-2-yl]-1,3,5-triazine-2,4(1H,3H)-diylidene]bis[3-[(2-ethylhexyl)oxy]-, (6Z,6'E)- [ACD/Index Name]

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

Density: 1.1±0.0 g/cm3
Boiling Point: 817.1±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 118.8±0.0 kJ/mol
Flash Point: 448.0±0.0 °C
Index of Refraction: 1.589
Molar Refractivity: 200.2±0.0 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 2
ACD/LogP: 8.23
ACD/LogD (pH 5.5): 6.24
ACD/BCF (pH 5.5): 10687.74
ACD/KOC (pH 5.5): 7195.39
ACD/LogD (pH 7.4): 6.24
ACD/BCF (pH 7.4): 10754.66
ACD/KOC (pH 7.4): 7240.45
Polar Surface Area: 76 Å2
Polarizability: 79.4±0.0 10-24cm3
Surface Tension: 42.4±0.0 dyne/cm
Molar Volume: 593.4±0.0 cm3

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