ChemSpider 2D Image | 4-(1-Pyrenyl)-1-{4-[3,6,10,16-tetraazabicyclo[10.3.1]hexadeca-1(16),12,14-trien-14-yl]-1-piperazinyl}-1-butanone | C36H42N6O

4-(1-Pyrenyl)-1-{4-[3,6,10,16-tetraazabicyclo[10.3.1]hexadeca-1(16),12,14-trien-14-yl]-1-piperazinyl}-1-butanone

  • Molecular FormulaC36H42N6O
  • Average mass574.758 Da
  • Monoisotopic mass574.341980 Da
  • ChemSpider ID8850006

More details:

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

1-Butanone, 4-(1-pyrenyl)-1-[4-[3,6,10,16-tetraazabicyclo[10.3.1]hexadeca-1(16),12,14-trien-14-yl]-1-piperazinyl]- [ACD/Index Name]
4-(1-Pyrenyl)-1-{4-[3,6,10,16-tetraazabicyclo[10.3.1]hexadeca-1(16),12,14-trien-14-yl]-1-piperazinyl}-1-butanon [German] [ACD/IUPAC Name]
4-(1-Pyrenyl)-1-{4-[3,6,10,16-tetraazabicyclo[10.3.1]hexadeca-1(16),12,14-trien-14-yl]-1-piperazinyl}-1-butanone [ACD/IUPAC Name]
4-(1-Pyrényl)-1-{4-[3,6,10,16-tétraazabicyclo[10.3.1]hexadéca-1(16),12,14-trién-14-yl]-1-pipérazinyl}-1-butanone [French] [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: 840.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 122.1±3.0 kJ/mol
Flash Point: 462.0±34.3 °C
Index of Refraction: 1.655
Molar Refractivity: 178.0±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 4.19
ACD/LogD (pH 5.5): 0.26
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.73
ACD/BCF (pH 7.4): 2.63
ACD/KOC (pH 7.4): 11.41
Polar Surface Area: 73 Å2
Polarizability: 70.5±0.5 10-24cm3
Surface Tension: 51.8±3.0 dyne/cm
Molar Volume: 484.9±3.0 cm3

Click to predict properties on the Chemicalize site


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