ChemSpider 2D Image | (2S-trans)-2,3-Dihydro-2,3-fluoranthenediyl 4-(dimethylamino)benzoate | C34H30N2O4

(2S-trans)-2,3-Dihydro-2,3-fluoranthenediyl 4-(dimethylamino)benzoate

  • Molecular FormulaC34H30N2O4
  • Average mass530.613 Da
  • Monoisotopic mass530.220581 Da
  • ChemSpider ID155539

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,3S)-2,3-Dihydrofluoranthen-2,3-diyl-bis[4-(dimethylamino)benzoat] [German] [ACD/IUPAC Name]
(2S,3S)-2,3-Dihydrofluoranthene-2,3-diyl bis[4-(dimethylamino)benzoate] [ACD/IUPAC Name]
(2S-trans)-2,3-Dihydro-2,3-fluoranthenediyl 4-(dimethylamino)benzoate
143192-45-4 [RN]
Benzoic acid, 4-(dimethylamino)-, (2S,3S)-2,3-dihydro-2,3-fluoranthenediyl ester [ACD/Index Name]
Benzoic acid, 4-(dimethylamino)-, 2,3-dihydro-2,3-fluoranthenediyl ester, (2S-trans)-
Bis[4-(diméthylamino)benzoate] de (2S,3S)-2,3-dihydrofluoranthène-2,3-diyle [French] [ACD/IUPAC Name]
(2S,3S)-2-[4-(DIMETHYLAMINO)BENZOYLOXY]-2,3-DIHYDROFLUORANTHEN-3-YL 4-(DIMETHYLAMINO)BENZOATE
Benzoic acid,4-(dimethylamino)-, 2,3-dihydro-2,3-fluoranthenediyl ester, (2S-trans)- (9CI)

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

Density: 1.3±0.1 g/cm3
Boiling Point: 731.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.8±3.0 kJ/mol
Flash Point: 396.5±32.9 °C
Index of Refraction: 1.689
Molar Refractivity: 154.2±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 9.54
ACD/LogD (pH 5.5): 7.89
ACD/BCF (pH 5.5): 585513.13
ACD/KOC (pH 5.5): 467607.38
ACD/LogD (pH 7.4): 7.89
ACD/BCF (pH 7.4): 585944.69
ACD/KOC (pH 7.4): 467952.00
Polar Surface Area: 59 Å2
Polarizability: 61.1±0.5 10-24cm3
Surface Tension: 63.9±5.0 dyne/cm
Molar Volume: 403.6±5.0 cm3

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