ChemSpider 2D Image | 9-(3-Bromo-4-isopropoxy-5-methoxyphenyl)-10-(2-phenylethyl)-3,4,6,7,9,10-hexahydro-1,8(2H,5H)-acridinedione | C31H34BrNO4

9-(3-Bromo-4-isopropoxy-5-methoxyphenyl)-10-(2-phenylethyl)-3,4,6,7,9,10-hexahydro-1,8(2H,5H)-acridinedione

  • Molecular FormulaC31H34BrNO4
  • Average mass564.510 Da
  • Monoisotopic mass563.167114 Da
  • ChemSpider ID81310770

More details:

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

1,8(2H,5H)-Acridinedione, 9-[3-bromo-5-methoxy-4-(1-methylethoxy)phenyl]-3,4,6,7,9,10-hexahydro-10-(2-phenylethyl)- [ACD/Index Name]
9-(3-Brom-4-isopropoxy-5-methoxyphenyl)-10-(2-phenylethyl)-3,4,6,7,9,10-hexahydro-1,8(2H,5H)-acridindion [German] [ACD/IUPAC Name]
9-(3-Bromo-4-isopropoxy-5-methoxyphenyl)-10-(2-phenylethyl)-3,4,6,7,9,10-hexahydro-1,8(2H,5H)-acridinedione [ACD/IUPAC Name]
9-(3-Bromo-4-isopropoxy-5-méthoxyphényl)-10-(2-phényléthyl)-3,4,6,7,9,10-hexahydro-1,8(2H,5H)-acridinedione [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 674.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.1±3.0 kJ/mol
Flash Point: 361.8±31.5 °C
Index of Refraction: 1.632
Molar Refractivity: 147.5±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 5.36
ACD/LogD (pH 5.5): 5.84
ACD/BCF (pH 5.5): 16094.13
ACD/KOC (pH 5.5): 35704.03
ACD/LogD (pH 7.4): 5.84
ACD/BCF (pH 7.4): 16094.48
ACD/KOC (pH 7.4): 35704.81
Polar Surface Area: 56 Å2
Polarizability: 58.5±0.5 10-24cm3
Surface Tension: 56.0±5.0 dyne/cm
Molar Volume: 413.7±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement