ChemSpider 2D Image | 1,1'-(1,3-Butadiyne-1,4-diylbis{[5-(2-methyl-2-propanyl)-2,1-phenylene]-2,1-ethynediyl})dipyrene | C60H42

1,1'-(1,3-Butadiyne-1,4-diylbis{[5-(2-methyl-2-propanyl)-2,1-phenylene]-2,1-ethynediyl})dipyrene

  • Molecular FormulaC60H42
  • Average mass762.976 Da
  • Monoisotopic mass762.328674 Da
  • ChemSpider ID30658657

More details:

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

1,1'-(1,3-Butadiin-1,4-diylbis{[5-(2-methyl-2-propanyl)-2,1-phenylen]-2,1-ethindiyl})dipyren [German] [ACD/IUPAC Name]
1,1'-(1,3-Butadiyne-1,4-diylbis{[5-(2-methyl-2-propanyl)-2,1-phenylene]-2,1-ethynediyl})dipyrene [ACD/IUPAC Name]
1,1'-(1,3-Butadiyne-1,4-diylbis{[5-(2-méthyl-2-propanyl)-2,1-phénylène]-2,1-éthynediyl})dipyrène [French] [ACD/IUPAC Name]
Pyrene, 1,1'-[1,3-butadiyne-1,4-diylbis[[5-(1,1-dimethylethyl)-2,1-phenylene]-2,1-ethynediyl]]bis- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.798
Molar Refractivity: 256.9±0.4 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 20.81
ACD/LogD (pH 5.5): 18.41
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 18.41
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 0 Å2
Polarizability: 101.8±0.5 10-24cm3
Surface Tension: 71.9±5.0 dyne/cm
Molar Volume: 602.2±5.0 cm3

Click to predict properties on the Chemicalize site


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