Found 6 results

Search term: RCMSSNINEUMEGG (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (2R,6S,8R,12S)-4,10-Bis(2-methylphenyl)-1-phenyl-4,10-diazatetracyclo[5.5.2.0~2,6~.0~8,12~]tetradec-13-ene-3,5,9,11-tetrone | C32H26N2O4

(2R,6S,8R,12S)-4,10-Bis(2-methylphenyl)-1-phenyl-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene-3,5,9,11-tetrone

  • Molecular FormulaC32H26N2O4
  • Average mass502.560 Da
  • Monoisotopic mass502.189270 Da
  • ChemSpider ID10119531

  • defined stereocentres - 4 of 6 defined stereocentres

More details:

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

(2R,6S,8R,12S)-4,10-Bis(2-methylphenyl)-1-phenyl-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradec-13-en-3,5,9,11-tetron [German] [ACD/IUPAC Name]
(2R,6S,8R,12S)-4,10-Bis(2-methylphenyl)-1-phenyl-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene-3,5,9,11-tetrone [ACD/IUPAC Name]
(2R,6S,8R,12S)-4,10-Bis(2-méthylphényl)-1-phényl-4,10-diazatétracyclo[5.5.2.02,6.08,12]tétradéc-13-ène-3,5,9,11-tétrone [French] [ACD/IUPAC Name]
4,8-Ethenopyrrolo[3,4-f]isoindole-1,3,5,7(2H,6H)-tetrone, 3a,4,4a,7a,8,8a-hexahydro-2,6-bis(2-methylphenyl)-4-phenyl-, (3aR,4aS,7aR,8aS)- [ACD/Index Name]

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

ZINC08397550 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 785.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 114.2±3.0 kJ/mol
Flash Point: 367.9±25.2 °C
Index of Refraction: 1.673
Molar Refractivity: 139.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 4.42
ACD/LogD (pH 5.5): 4.33
ACD/BCF (pH 5.5): 1147.29
ACD/KOC (pH 5.5): 5391.56
ACD/LogD (pH 7.4): 4.33
ACD/BCF (pH 7.4): 1147.30
ACD/KOC (pH 7.4): 5391.57
Polar Surface Area: 75 Å2
Polarizability: 55.4±0.5 10-24cm3
Surface Tension: 60.1±3.0 dyne/cm
Molar Volume: 372.7±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement