ChemSpider 2D Image | 2,2'-(1,4-Phenylene)bis[6-(1,4,5,6-tetrahydro-2-pyrimidinyl)-1H-indole] | C30H28N6

2,2'-(1,4-Phenylene)bis[6-(1,4,5,6-tetrahydro-2-pyrimidinyl)-1H-indole]

  • Molecular FormulaC30H28N6
  • Average mass472.583 Da
  • Monoisotopic mass472.237549 Da
  • ChemSpider ID24678896

More details:






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

1H-Indole, 2,2'-(1,4-phenylene)bis[6-(1,4,5,6-tetrahydro-2-pyrimidinyl)- [ACD/Index Name]
2,2'-(1,4-Phenylen)bis[6-(1,4,5,6-tetrahydro-2-pyrimidinyl)-1H-indol] [German] [ACD/IUPAC Name]
2,2'-(1,4-Phenylene)bis[6-(1,4,5,6-tetrahydro-2-pyrimidinyl)-1H-indole] [ACD/IUPAC Name]
2,2'-(1,4-Phénylène)bis[6-(1,4,5,6-tétrahydro-2-pyrimidinyl)-1H-indole] [French] [ACD/IUPAC Name]
2,2'-Benzene-1,4-Diylbis[6-(1,4,5,6-Tetrahydropyrimidin-2-Yl)-1h-Indole]
1225332-95-5 (free base)
3F6
MBX-1162

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 869.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 126.3±3.0 kJ/mol
Flash Point: 479.4±34.3 °C
Index of Refraction: 1.759
Molar Refractivity: 141.3±0.5 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.50
ACD/LogD (pH 5.5): 1.40
ACD/BCF (pH 5.5): 1.30
ACD/KOC (pH 5.5): 5.88
ACD/LogD (pH 7.4): 1.40
ACD/BCF (pH 7.4): 1.30
ACD/KOC (pH 7.4): 5.88
Polar Surface Area: 80 Å2
Polarizability: 56.0±0.5 10-24cm3
Surface Tension: 57.9±7.0 dyne/cm
Molar Volume: 343.6±7.0 cm3

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