ChemSpider 2D Image | 5-{2-(1-Propyn-1-yl)-6-[4-(1-propyn-1-yl)-3-pyridinyl]phenyl}isoquinoline | C26H18N2

5-{2-(1-Propyn-1-yl)-6-[4-(1-propyn-1-yl)-3-pyridinyl]phenyl}isoquinoline

  • Molecular FormulaC26H18N2
  • Average mass358.435 Da
  • Monoisotopic mass358.147003 Da
  • ChemSpider ID30659188

More details:

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

5-{2-(1-Propin-1-yl)-6-[4-(1-propin-1-yl)-3-pyridinyl]phenyl}isochinolin [German] [ACD/IUPAC Name]
5-{2-(1-Propyn-1-yl)-6-[4-(1-propyn-1-yl)-3-pyridinyl]phényl}isoquinoléine [French] [ACD/IUPAC Name]
5-{2-(1-Propyn-1-yl)-6-[4-(1-propyn-1-yl)-3-pyridinyl]phenyl}isoquinoline [ACD/IUPAC Name]
Isoquinoline, 5-[2-(1-propyn-1-yl)-6-[4-(1-propyn-1-yl)-3-pyridinyl]phenyl]- [ACD/Index 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: 558.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 80.9±3.0 kJ/mol
Flash Point: 245.6±21.4 °C
Index of Refraction: 1.702
Molar Refractivity: 113.1±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.50
ACD/LogD (pH 5.5): 5.42
ACD/BCF (pH 5.5): 7278.44
ACD/KOC (pH 5.5): 18821.42
ACD/LogD (pH 7.4): 5.53
ACD/BCF (pH 7.4): 9352.63
ACD/KOC (pH 7.4): 24185.09
Polar Surface Area: 26 Å2
Polarizability: 44.8±0.5 10-24cm3
Surface Tension: 67.6±5.0 dyne/cm
Molar Volume: 291.9±5.0 cm3

Click to predict properties on the Chemicalize site


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