ChemSpider 2D Image | 12-(2-Hydroxyethyl)-2-isopropoxy-13,14-dihydronaphtho[2,1-a]pyrrolo[3,4-c]carbazol-5(12H)-one | C27H24N2O3

12-(2-Hydroxyethyl)-2-isopropoxy-13,14-dihydronaphtho[2,1-a]pyrrolo[3,4-c]carbazol-5(12H)-one

  • Molecular FormulaC27H24N2O3
  • Average mass424.491 Da
  • Monoisotopic mass424.178680 Da
  • ChemSpider ID25060609

More details:

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

12-(2-hydroxyethyl)-2-(1-methylethoxy)-13,14-dihydronaphtho[2,1-a]pyrrolo[3,4-c]carbazol-5(12H)-one
12-(2-Hydroxyethyl)-2-isopropoxy-13,14-dihydronaphtho[2,1-a]pyrrolo[3,4-c]carbazol-5(12H)-on [German] [ACD/IUPAC Name]
12-(2-Hydroxyethyl)-2-isopropoxy-13,14-dihydronaphtho[2,1-a]pyrrolo[3,4-c]carbazol-5(12H)-one [ACD/IUPAC Name]
12-(2-Hydroxyéthyl)-2-isopropoxy-13,14-dihydronaphto[2,1-a]pyrrolo[3,4-c]carbazol-5(12H)-one [French] [ACD/IUPAC Name]
Naphtho[2,1-a]pyrrolo[3,4-c]carbazol-5(12H)-one, 13,14-dihydro-12-(2-hydroxyethyl)-2-(1-methylethoxy)- [ACD/Index Name]
3-(2-hydroxyethyl)-20-(propan-2-yloxy)-3,13-diazahexacyclo[14.8.0.0²,¹⁰.0⁴,⁹.0¹¹,¹⁵.0¹⁷,²²]tetracosa-1(16),2(10),4,6,8,11(15),12,17,19,21-decaen-14-one
3-(2-hydroxyethyl)-20-(propan-2-yloxy)-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.017,22]tetracosa-1,4,6,8,10,12,15,17(22),18,20-decaen-14-one
3-(2-hydroxyethyl)-20-isopropoxy-3,13-diazahexacyclo[14.8.0.0²,¹⁰.0⁴,⁹.0¹¹,¹⁵.0¹⁷,²²]tetracosa-1(16),2(10),4,6,8,11(15),12,17,19,21-decaen-14-one
VIN

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

Density: 1.4±0.1 g/cm3
Boiling Point: 660.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.1±3.0 kJ/mol
Flash Point: 353.4±34.3 °C
Index of Refraction: 1.710
Molar Refractivity: 121.4±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.80
ACD/LogD (pH 5.5): 5.35
ACD/BCF (pH 5.5): 6821.49
ACD/KOC (pH 5.5): 19314.43
ACD/LogD (pH 7.4): 5.35
ACD/BCF (pH 7.4): 6821.49
ACD/KOC (pH 7.4): 19314.43
Polar Surface Area: 64 Å2
Polarizability: 48.1±0.5 10-24cm3
Surface Tension: 52.8±7.0 dyne/cm
Molar Volume: 310.6±7.0 cm3

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