ChemSpider 2D Image | 11-{4-[4-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)phenoxy]phenyl}-1,8-diphenyl-14-oxa-11-azatetracyclo[6.5.1.0~2,7~.0~9,13~]tetradeca-2,4,6-triene-10,12-dione | C40H26N2O6

11-{4-[4-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)phenoxy]phenyl}-1,8-diphenyl-14-oxa-11-azatetracyclo[6.5.1.02,7.09,13]tetradeca-2,4,6-triene-10,12-dione

  • Molecular FormulaC40H26N2O6
  • Average mass630.644 Da
  • Monoisotopic mass630.179077 Da
  • ChemSpider ID4937287

More details:

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

11-{4-[4-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)phenoxy]phenyl}-1,8-diphenyl-14-oxa-11-azatetracyclo[6.5.1.02,7.09,13]tetradeca-2,4,6-trien-10,12-dion [German] [ACD/IUPAC Name]
11-{4-[4-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)phenoxy]phenyl}-1,8-diphenyl-14-oxa-11-azatetracyclo[6.5.1.02,7.09,13]tetradeca-2,4,6-triene-10,12-dione [ACD/IUPAC Name]
11-{4-[4-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)phénoxy]phényl}-1,8-diphényl-14-oxa-11-azatétracyclo[6.5.1.02,7.09,13]tétradéca-2,4,6-triène-10,12-dione [French] [ACD/IUPAC Name]
4,9-Epoxy-1H-benz[f]isoindole-1,3(2H)-dione, 2-[4-[4-(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)phenoxy]phenyl]-3a,4,9,9a-tetrahydro-4,9-diphenyl- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.723
Molar Refractivity: 173.4±0.3 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 7.31
ACD/LogD (pH 5.5): 6.01
ACD/BCF (pH 5.5): 21651.16
ACD/KOC (pH 5.5): 44149.24
ACD/LogD (pH 7.4): 6.01
ACD/BCF (pH 7.4): 21651.18
ACD/KOC (pH 7.4): 44149.29
Polar Surface Area: 93 Å2
Polarizability: 68.8±0.5 10-24cm3
Surface Tension: 70.0±3.0 dyne/cm
Molar Volume: 437.8±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement