4-{(E)-2-[5,5-Dimethyl-8-(Phenylethynyl)-5,6-Dihydro-2-Naphthalenyl]Vinyl}Benzoic Acid

Molecule SVG Image

Properties Simple | Detailed

Formula C29H24O2
IUPAC Name 4-[(e)-2-[5,5-dimethyl-8-(2-phenylethynyl)-6h-naphthalen-2-yl]vinyl]benzoic acid
Molecular Mass 404.500 g·mol−1
Heat of Formation 166.3 ± 16.7 kJ·mol−1
Dipole Moment 4.12 ± 1.08 D
Volume 514.56 Å 3
Surface Area 442.49 Å 2
HOMO Energy -8.71 ± 0.55 eV
LUMO Energy -1.05 ± eV
Point Group Symmetry C1
Synonyms
  • 4-[(e)-2-[5,5-dimethyl-8-(2-phenylethynyl)-6h-naphthalen-2-yl]ethenyl]benzoic acid
  • 4-[(e)-2-[5,5-dimethyl-8-(2-phenylethynyl)-6h-naphthalen-2-yl]vinyl]benzoic acid
InChIKey YCADIXLLWMXYKW-CMDGGOBGSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O