ChemSpider 2D Image | N,N-Diethyl-N'-{6-(6-methoxy-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)-2-[4-(2-methyl-2-propanyl)phenyl]-4-pyrimidinyl}-1,4-benzenediamine | C36H42N6O

N,N-Diethyl-N'-{6-(6-methoxy-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)-2-[4-(2-methyl-2-propanyl)phenyl]-4-pyrimidinyl}-1,4-benzenediamine

  • Molecular FormulaC36H42N6O
  • Average mass574.758 Da
  • Monoisotopic mass574.341980 Da
  • ChemSpider ID121590103

More details:

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

1,4-Benzenediamine, N4-[2-[4-(1,1-dimethylethyl)phenyl]-6-(1,3,4,5-tetrahydro-6-methoxy-2H-pyrido[4,3-b]indol-2-yl)-4-pyrimidinyl]-N1,N1-diethyl- [ACD/Index Name]
N,N-Diethyl-N'-{6-(6-methoxy-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)-2-[4-(2-methyl-2-propanyl)phenyl]-4-pyrimidinyl}-1,4-benzenediamine [ACD/IUPAC Name]
N,N-Diéthyl-N'-{6-(6-méthoxy-1,3,4,5-tétrahydro-2H-pyrido[4,3-b]indol-2-yl)-2-[4-(2-méthyl-2-propanyl)phényl]-4-pyrimidinyl}-1,4-benzènediamine [French] [ACD/IUPAC Name]
N,N-Diethyl-N'-{6-(6-methoxy-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)-2-[4-(2-methyl-2-propanyl)phenyl]-4-pyrimidinyl}-1,4-benzoldiamin [German] [ACD/IUPAC 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: 704.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.1±3.0 kJ/mol
Flash Point: 379.8±32.9 °C
Index of Refraction: 1.656
Molar Refractivity: 177.5±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 7.31
ACD/LogD (pH 5.5): 5.74
ACD/BCF (pH 5.5): 5785.94
ACD/KOC (pH 5.5): 6204.51
ACD/LogD (pH 7.4): 7.19
ACD/BCF (pH 7.4): 162411.08
ACD/KOC (pH 7.4): 174160.48
Polar Surface Area: 69 Å2
Polarizability: 70.4±0.5 10-24cm3
Surface Tension: 55.7±3.0 dyne/cm
Molar Volume: 483.4±3.0 cm3

Click to predict properties on the Chemicalize site


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