Tcmdc-123459

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Properties Simple | Detailed

Formula C26H20N6
IUPAC Name 4-[5-[2-(4-aminophenyl)benzimidazol-5-yl]benzimidazol-3-ium-2-yl]aniline
Molecular Mass 416.477 g·mol−1
Heat of Formation 611.6 ± 16.7 kJ·mol−1
Dipole Moment 7.32 ± 1.08 D
Volume 481.89 Å 3
Surface Area 440.46 Å 2
HOMO Energy -8.22 ± 0.55 eV
LUMO Energy 1.47 ± eV
Point Group Symmetry C2
Synonyms
  • 4-[6-[2-(4-aminophenyl)-3h-benzimidazol-5-yl]-1h-benzimidazol-2-yl]aniline
  • 5,5'-bis[2-(4-aminophenyl)-1h-1,3-benzimidazol]
  • [4-[6-[2-(4-aminophenyl)-3h-benzimidazol-5-yl]-1h-benzimidazol-2-yl]phenyl]amine
  • bim-0032961.p001
  • cbmicro_033003
  • oprea1_365596
  • oprea1_668353
InChIKey MTXGSGLDYXIXFF-UHFFFAOYSA-N
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Elements H C N