(3S)-1-[2''-(4-Methoxyphenyl)-1H,3'H,3''H-2,5':2',5''-Terbenzimidazol-6-Yl]-3-Pyrrolidinaminium

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Properties Simple | Detailed

Formula C32H29N8O+
IUPAC Name [(3s)-1-[2-[2-[2-(4-methoxyphenyl)-3h-benzimidazol-5-yl]-3h-benzimidazol-5-yl]-3h-benzimidazol-5-yl]pyrrolidin-3-yl]ammonium
Molecular Mass 541.626 g·mol−1
Heat of Formation 5415.9 ± 16.7 kJ·mol−1
Dipole Moment 12.13 ± 1.08 D
Volume 542.09 Å 3
Surface Area 481.34 Å 2
HOMO Energy -7.07 ± 0.55 eV
LUMO Energy -3.31 ± eV
Point Group Symmetry C1
Synonyms
  • 2''-(4-methoxyphenyl)-5-(3-amino-1-pyrrolidinyl)-2,5',2',5''-tri-benzimidazole
  • [(3s)-1-[2-[2-[2-(4-methoxyphenyl)-3h-benzimidazol-5-yl]-3h-benzimidazol-5-yl]-3h-benzimidazol-5-yl]-3-pyrrolidinyl]ammonium
  • [(3s)-1-[2-[2-[2-(4-methoxyphenyl)-3h-benzimidazol-5-yl]-3h-benzimidazol-5-yl]-3h-benzimidazol-5-yl]pyrrolidin-3-yl]ammonium
  • tribiz
  • tris(benzimidazole) derivative
InChIKey MEDNUDGNJOXVKL-NRFANRHFSA-O
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