Formula |
C27H24FN3O |
IUPAC Name |
4-[4-(4-fluorophenyl)-1-(3-phenylpropyl)-5-(3h-pyridin-1-ium-3-id-4-yl)imidazol-3-ium-5-id-2-yl]but-3-yn-1-olate |
Molecular Mass |
425.497 g·mol−1 |
Heat of Formation |
227.3 ± 16.7 kJ·mol−1 |
Dipole Moment |
7.50 ± 1.08 D |
Volume |
521.24 Å 3 |
Surface Area |
420.55 Å 2 |
HOMO Energy |
-8.61 ± 0.55 eV |
LUMO Energy |
2.38 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 3-butyn-1-ol, 4-(4-(4-fluorophenyl)-1-(3-phenylpropyl)-5-(4-pyridinyl)-1h-imidazol-2-yl)-
- 3-butyn-1-ol, 4-[4-(4-fluorophenyl)-1-(3-phenylpropyl)-5-(4-pyridinyl)-1h-imidazol-2-yl]-
- 4-(4-(4-fluorophenyl)-1-(3-phenylpropyl)-5-(4-pyridinyl)-1h-imidazol-2-yl)-3-butyn-1-ol
- 4-[4-(4-fluorophenyl)-1-(3-phenylpropyl)-5-(4-pyridyl)-2-imidazolyl]but-3-yn-1-ol
- 4-[4-(4-fluorophenyl)-1-(3-phenylpropyl)-5-(4-pyridyl)imidazol-2-yl]but-3-yn-1-ol
- 4-[4-(4-fluorophenyl)-1-(3-phenylpropyl)-5-pyridin-4-yl-imidazol-2-yl]but-3-yn-1-ol
- 4-[4-(4-fluorophenyl)-1-(3-phenylpropyl)-5-pyridin-4-ylimidazol-2-yl]but-3-yn-1-ol
- rwj 67657
- rwj67657
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CAS Number(s) |
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InChIKey |
QSUSKMBNZQHHPA-UHFFFAOYSA-N |
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Links |
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Elements |
H
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F
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