4-[1,5-Bis(4-Hydroxyphenyl)-4-Propyl-1,2-Dihydro-3H-Pyrazol-3-Ylidene]-2,5-Cyclohexadien-1-One

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Formula C24H22N2O3
IUPAC Name 4-[1,5-bis(4-hydroxyphenyl)-4-propyl-pyrazole-1,2-diium-3-ylidene]cyclohexa-2,5-dien-1-one
Molecular Mass 386.443 g·mol−1
Heat of Formation -15.8 ± 16.7 kJ·mol−1
Dipole Moment 11.28 ± 1.08 D
Volume 468.01 Å 3
Surface Area 391.39 Å 2
HOMO Energy -7.98 ± 0.55 eV
LUMO Energy -1.23 ± eV
Point Group Symmetry C1
Synonyms
  • 1,3,5-tris(4-hydroxyphenyl)-4-propyl-1h-pyrazole
  • 4,4',4''-(4-propyl-1h-pyrazole-1,3,5-triyl)triphenol
  • 4-[1,5-bis(4-hydroxyphenyl)-4-propyl-2h-pyrazol-3-ylidene]-1-cyclohexa-2,5-dienone
  • 4-[1,5-bis(4-hydroxyphenyl)-4-propyl-2h-pyrazol-3-ylidene]cyclohexa-2,5-dien-1-one
  • tocris-1426
InChIKey UOSWGERPQQOSHS-UHFFFAOYSA-N
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