ChemSpider 2D Image | 3',6'-Bis(diethylamino)-2-(4-nitrophenyl)spiro[isoindole-1,9'-xanthen]-3(2H)-one | C34H34N4O4

3',6'-Bis(diethylamino)-2-(4-nitrophenyl)spiro[isoindole-1,9'-xanthen]-3(2H)-one

  • Molecular FormulaC34H34N4O4
  • Average mass562.658 Da
  • Monoisotopic mass562.257996 Da
  • ChemSpider ID107263

More details:






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

249-501-8 [EINECS]
29199-09-5 [RN]
3',6'-bis(diethylamino)-2-(4-nitrophenyl)-2,3-dihydrospiro[isoindole-1,9'-xanthen]-3-one
3',6'-Bis(diethylamino)-2-(4-nitrophenyl)spiro(1H-isoindole-1,9'-(9H)xanthene)-3(2H)-one
3',6'-Bis(diethylamino)-2-(4-nitrophenyl)spiro[isoindole-1,9'-xanthen]-3(2H)-on [German] [ACD/IUPAC Name]
3',6'-Bis(diethylamino)-2-(4-nitrophenyl)spiro[isoindole-1,9'-xanthen]-3(2H)-one [ACD/IUPAC Name]
3',6'-Bis(diéthylamino)-2-(4-nitrophényl)spiro[isoindole-1,9'-xanthen]-3(2H)-one [French] [ACD/IUPAC Name]
Spiro[1H-isoindole-1,9'-[9H]xanthen]-3(2H)-one, 3',6'-bis(diethylamino)-2-(4-nitrophenyl)- [ACD/Index Name]
3',6'-bis(diethylamino)-2-(4-nitrophenyl)spiro[1H-isoindole-1,9'-[9H]xanthene]-3(2H)-one
3',6'-bis(diethylamino)-2-(4-nitrophenyl)spiro[isoindole-1,9'-xanthen]-3-one
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 754.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.9±3.0 kJ/mol
Flash Point: 410.0±32.9 °C
Index of Refraction: 1.693
Molar Refractivity: 162.6±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 10.36
ACD/LogD (pH 5.5): 7.18
ACD/BCF (pH 5.5): 109400.45
ACD/KOC (pH 5.5): 83934.25
ACD/LogD (pH 7.4): 7.95
ACD/BCF (pH 7.4): 638537.31
ACD/KOC (pH 7.4): 489898.81
Polar Surface Area: 82 Å2
Polarizability: 64.5±0.5 10-24cm3
Surface Tension: 67.6±5.0 dyne/cm
Molar Volume: 424.0±5.0 cm3

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