6-({2-(2-Chlorophenyl)-5-[4-(5-Pyrimidinyloxy)Phenyl]-1H-Pyrrol-1-Yl}Methyl)-2-Pyridinamine

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Properties Simple | Detailed

Formula C26H20ClN5O
IUPAC Name 6-[[2-(2-chlorophenyl)-5-(4-pyrimidin-5-yloxyphenyl)pyrrol-1-ium-5-ylium-1-yl]methyl]pyridin-2-amine
Molecular Mass 453.923 g·mol−1
Heat of Formation 410.8 ± 16.7 kJ·mol−1
Dipole Moment 5.54 ± 1.08 D
Volume 522.77 Å 3
Surface Area 416.78 Å 2
HOMO Energy -8.64 ± 0.55 eV
LUMO Energy 2.30 ± eV
Point Group Symmetry C1
Synonyms
  • 6-[[2-(2-chlorophenyl)-5-(4-pyrimidin-5-yloxyphenyl)pyrrol-1-yl]methyl]pyridin-2-amine
  • 6-[[2-(2-chlorophenyl)-5-[4-(5-pyrimidinyloxy)phenyl]-1-pyrrolyl]methyl]-2-pyridinamine
  • [6-[[2-(2-chlorophenyl)-5-(4-pyrimidin-5-yloxyphenyl)pyrrol-1-yl]methyl]-2-pyridyl]amine
InChIKey MNZJYJDKCYJKMU-UHFFFAOYSA-N
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