ChemSpider 2D Image | (6E)-6-({2-[4-(Adamantan-1-ylamino)-6-(diphenylamino)-1,3,5-triazin-2-yl]hydrazino}methylene)-4-nitro-2,4-cyclohexadien-1-one | C32H32N8O3

(6E)-6-({2-[4-(Adamantan-1-ylamino)-6-(diphenylamino)-1,3,5-triazin-2-yl]hydrazino}methylene)-4-nitro-2,4-cyclohexadien-1-one

  • Molecular FormulaC32H32N8O3
  • Average mass576.648 Da
  • Monoisotopic mass576.259766 Da
  • ChemSpider ID4679377

  • Double-bond stereo - Double-bond stereo

More details:

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

(6E)-6-({2-[4-(Adamantan-1-ylamino)-6-(diphenylamino)-1,3,5-triazin-2-yl]hydrazino}methylen)-4-nitro-2,4-cyclohexadien-1-on [German] [ACD/IUPAC Name]
(6E)-6-({2-[4-(Adamantan-1-ylamino)-6-(diphenylamino)-1,3,5-triazin-2-yl]hydrazino}methylene)-4-nitro-2,4-cyclohexadien-1-one [ACD/IUPAC Name]
(6E)-6-({2-[4-(Adamantan-1-ylamino)-6-(diphénylamino)-1,3,5-triazin-2-yl]hydrazino}méthylène)-4-nitro-2,4-cyclohexadién-1-one [French] [ACD/IUPAC Name]
2,4-Cyclohexadien-1-one, 6-[[2-[4-(diphenylamino)-6-(tricyclo[3.3.1.13,7]dec-1-ylamino)-1,3,5-triazin-2-yl]hydrazinyl]methylene]-4-nitro-, (6E)- [ACD/Index Name]

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

BAS 00211433 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 726.6±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.1±3.0 kJ/mol
Flash Point: 393.3±35.7 °C
Index of Refraction: 1.719
Molar Refractivity: 160.3±0.4 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 4.08
ACD/LogD (pH 5.5): 4.22
ACD/BCF (pH 5.5): 914.51
ACD/KOC (pH 5.5): 4362.19
ACD/LogD (pH 7.4): 4.30
ACD/BCF (pH 7.4): 1086.03
ACD/KOC (pH 7.4): 5180.35
Polar Surface Area: 141 Å2
Polarizability: 63.6±0.5 10-24cm3
Surface Tension: 80.8±5.0 dyne/cm
Molar Volume: 406.4±5.0 cm3

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