ChemSpider 2D Image | 2,9-Bis(3,4-dimethylphenyl)isoquinolino[4',5',6':6,5,10]anthra[2,1,9-def]isoquinoline-1,3,8,10(2H,9H)-tetrone | C40H26N2O4

2,9-Bis(3,4-dimethylphenyl)isoquinolino[4',5',6':6,5,10]anthra[2,1,9-def]isoquinoline-1,3,8,10(2H,9H)-tetrone

  • Molecular FormulaC40H26N2O4
  • Average mass598.645 Da
  • Monoisotopic mass598.189270 Da
  • ChemSpider ID2355073

More details:

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

2,9-Bis(3,4-dimethylphenyl)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(3,4-diméthylphényl)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(3,4-dimethylphenyl)isoquinolino[4',5',6':6,5,10]anthra[2,1,9-def]isoquinoline-1,3,8,10(2H,9H)-tetrone [ACD/IUPAC Name]
Isoquino[4',5',6':6,5,10]anthra[2,1,9-def]isoquinoline-1,3,8,10(2H,9H)-tetrone, 2,9-bis(3,4-dimethylphenyl)- [ACD/Index Name]
7,18-bis(3,4-dimethylphenyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone
N,N'-Bis(3,4-xylyl)perylene-3,4:9,10-bis(dicarbimide)

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

BAS 00326961 [DBID]

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: 1.822
Molar Refractivity: 181.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 2
ACD/LogP: 7.22
ACD/LogD (pH 5.5): 7.47
ACD/BCF (pH 5.5): 279929.81
ACD/KOC (pH 5.5): 275090.16
ACD/LogD (pH 7.4): 7.47
ACD/BCF (pH 7.4): 282397.59
ACD/KOC (pH 7.4): 277515.28
Polar Surface Area: 75 Å2
Polarizability: 71.9±0.5 10-24cm3
Surface Tension: 75.3±3.0 dyne/cm
Molar Volume: 415.9±3.0 cm3

Click to predict properties on the Chemicalize site


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