ChemSpider 2D Image | PEPTC | C40H26N2O4

PEPTC

  • Molecular FormulaC40H26N2O4
  • Average mass598.645 Da
  • Monoisotopic mass598.189270 Da
  • ChemSpider ID95058

More details:

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

2,9-Bis(2-phenylethyl)anthra(2,1,9-def:6,5,10-d'e'f')diisoquinoline-1,3,8,10(2H,9H)-tetrone
2,9-Bis(2-phenylethyl)isochinolino[4',5',6':6,5,10]anthra[2,1,9-def]isochinolin-1,3,8,10(2H,9H)-tetron [German] [ACD/IUPAC Name]
2,9-Bis(2-phényléthyl)isoquinoléino[4',5',6':6,5,10]anthra[2,1,9-def]isoquinoléine-1,3,8,10(2H,9H)-tétrone [French] [ACD/IUPAC Name]
2,9-Bis(2-phenylethyl)isoquinolino[4',5',6':6,5,10]anthra[2,1,9-def]isoquinoline-1,3,8,10(2H,9H)-tetrone [ACD/IUPAC Name]
266-564-7 [EINECS]
67075-37-0 [RN]
Anthra(2,1,9-def:6,5,10-d'e'f')diisoquinoline-1,3,8,10(2H,9H)-tetrone, 2,9-bis(2-phenylethyl)-
Black S 0084
Isoquino[4',5',6':6,5,10]anthra[2,1,9-def]isoquinoline-1,3,8,10(2H,9H)-tetrone, 2,9-bis(2-phenylethyl)- [ACD/Index Name]
MFCD00151595
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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: 1.810
Molar Refractivity: 180.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 6.26
ACD/LogD (pH 5.5): 7.24
ACD/BCF (pH 5.5): 187254.11
ACD/KOC (pH 5.5): 206815.11
ACD/LogD (pH 7.4): 7.24
ACD/BCF (pH 7.4): 187254.11
ACD/KOC (pH 7.4): 206815.11
Polar Surface Area: 75 Å2
Polarizability: 71.6±0.5 10-24cm3
Surface Tension: 74.8±3.0 dyne/cm
Molar Volume: 418.9±3.0 cm3

Click to predict properties on the Chemicalize site


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