ChemSpider 2D Image | (16Z)-25-(9H-beta-Carbolin-1-yl)-13-hydroxy-7-oxo-11,22-diazoniapentacyclo[11.11.2.1~2,22~.0~2,12~.0~4,11~]heptacosa-16,25-diene | C36H46N4O2

(16Z)-25-(9H-β-Carbolin-1-yl)-13-hydroxy-7-oxo-11,22-diazoniapentacyclo[11.11.2.12,22.02,12.04,11]heptacosa-16,25-diene

  • Molecular FormulaC36H46N4O2
  • Average mass566.775 Da
  • Monoisotopic mass566.360962 Da
  • ChemSpider ID21433260

  • Charge - Charge

    Double-bond stereo - Double-bond stereo

More details:

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

(16Z)-25-(9H-β-Carbolin-1-yl)-13-hydroxy-7-oxo-11,22-diazoniapentacyclo[11.11.2.12,22.02,12.04,11]heptacosa-16,25-dien [German] [ACD/IUPAC Name]
(16Z)-25-(9H-β-Carbolin-1-yl)-13-hydroxy-7-oxo-11,22-diazoniapentacyclo[11.11.2.12,22.02,12.04,11]heptacosa-16,25-diene [ACD/IUPAC Name]
(16Z)-25-(9H-β-Carbolin-1-yl)-13-hydroxy-7-oxo-11,22-diazoniapentacyclo[11.11.2.12,22.02,12.04,11]heptacosa-16,25-diène [French] [ACD/IUPAC Name]
3H-7,2-[3]Octeno-1H-azocino[1',2':1,5]pyrrolo[2,3-i]isoquinolin-12(9H)-one, 4,4a,7,7a,10,11,13,14,14a,15-decahydro-7-hydroxy-5-(9H-pyrido[3,4-b]indol-1-yl)-, conjugate diacid, (18Z)- [ACD/Index Name]

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

Density:
Boiling Point: 785.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 119.9±3.0 kJ/mol
Flash Point: 429.0±32.9 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 2
ACD/LogP: 6.50
ACD/LogD (pH 5.5): 1.88
ACD/BCF (pH 5.5): 1.57
ACD/KOC (pH 5.5): 3.09
ACD/LogD (pH 7.4): 3.96
ACD/BCF (pH 7.4): 188.95
ACD/KOC (pH 7.4): 372.63
Polar Surface Area: 75 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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