ChemSpider 2D Image | 7-{[(2E)-(9-Anthrylmethylene)hydrazono](phenyl)methyl}-1,3,5-triazatricyclo[3.3.1.1~3,7~]decane | C29H27N5

7-{[(2E)-(9-Anthrylmethylene)hydrazono](phenyl)methyl}-1,3,5-triazatricyclo[3.3.1.13,7]decane

  • Molecular FormulaC29H27N5
  • Average mass445.558 Da
  • Monoisotopic mass445.226654 Da
  • ChemSpider ID22825547

  • Double-bond stereo - Double-bond stereo

More details:

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

7-{[(2E)-(9-Anthrylmethylen)hydrazono](phenyl)methyl}-1,3,5-triazatricyclo[3.3.1.13,7]decan [German] [ACD/IUPAC Name]
7-{[(2E)-(9-Anthrylmethylene)hydrazono](phenyl)methyl}-1,3,5-triazatricyclo[3.3.1.13,7]decane [ACD/IUPAC Name]
7-{[(2E)-(9-Anthrylméthylène)hydrazono](phényl)méthyl}-1,3,5-triazatricyclo[3.3.1.13,7]décane [French] [ACD/IUPAC Name]
9-Anthracenecarboxaldehyde, 2-(phenyl-1,3,5-triazatricyclo[3.3.1.13,7]dec-7-ylmethylene)hydrazone [ACD/Index Name]
9-anthracenecarbaldehyde [phenyl(1,3,5-triazatricyclo[3.3.1.13,7]dec-7-yl)methylene]hydrazone

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

Density: 1.3±0.1 g/cm3
Boiling Point: 644.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.0±3.0 kJ/mol
Flash Point: 343.3±34.3 °C
Index of Refraction: 1.720
Molar Refractivity: 136.9±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 8.22
ACD/LogD (pH 5.5): 5.46
ACD/BCF (pH 5.5): 4695.46
ACD/KOC (pH 5.5): 7581.03
ACD/LogD (pH 7.4): 6.42
ACD/BCF (pH 7.4): 43550.42
ACD/KOC (pH 7.4): 70314.05
Polar Surface Area: 34 Å2
Polarizability: 54.3±0.5 10-24cm3
Surface Tension: 55.8±7.0 dyne/cm
Molar Volume: 346.5±7.0 cm3

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