2-{4-[4-(2-Methoxyphenyl)-1-Piperazinyl]-2-Butyn-1-Yl}-2-Phenyl-1H-Indene-1,3(2H)-Dione

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Properties Simple | Detailed

Formula C30H28N2O3
IUPAC Name 2-[4-[4-(2-methoxybenzene-3,4,5-triid-1-yl)piperazin-1-yl]but-2-ynyl]-2-phenyl-indane-1,3-dione
Molecular Mass 464.555 g·mol−1
Heat of Formation 1170.5 ± 16.7 kJ·mol−1
Dipole Moment 7.00 ± 1.08 D
Volume 565.93 Å 3
Surface Area 429.48 Å 2
HOMO Energy -8.02 ± 0.55 eV
LUMO Energy -0.98 ± eV
Point Group Symmetry C1
Synonyms
  • 1,3-indandione, 2-(4-(4-(o-methoxyphenyl)-1-piperazinyl)-2-butyn-1-yl)-2-phenyl-
  • 2-(4-(4-(o-methoxyphenyl)-1-piperazinyl)-2-butyn-1-yl)-2-phenyl-1,3-indandione
  • 2-[4-[4-(2-methoxyphenyl)-1-piperazinyl]but-2-ynyl]-2-phenylindane-1,3-dione
  • 2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]but-2-ynyl]-2-phenyl-indane-1,3-quinone
  • 2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]but-2-ynyl]-2-phenyl-indene-1,3-dione
  • 2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]but-2-ynyl]-2-phenylindene-1,3-dione
CAS Number(s)
  • 37741-99-4
InChIKey VSSRHYYRJYZXOJ-UHFFFAOYSA-N
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