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1.3.5-Cycloheptatriene.7.7-dimethyl-2.4-diphenyl-
PHCD compound ID : 3792
Chemical Names :
1.3.5-Cycloheptatriene.7.7-dimethyl-2.4-diphenyl-
Molecular Formula : C21H20
Molecular Weight : 272.156501
More Details :
Names & Synonyms: 7,7-dimethyl-2,4-diphenyl-cyclohepta-1,3,5-triene , 7,7-dimethyl-2,4-diphenylcyclohepta-1,3,5-triene
Smiles: CC1(C)C=CC(=CC(=C1)c1ccccc1)c1ccccc1
InChi : InChI=1S/C21H20/c1-21(2)14-13-19(17-9-5-3-6-10-17)15-20(16-21)18-11-7-4-8-12-18/h3-16H,1-2H3
InChi Key : InChIKey=JIOPJHJFJQRTCH-UHFFFAOYSA-N
PubChem ID : 620917
Rotatable bond count : 2 Rule of five : 1
Hydrogen bond acceptor count : 0 Ionization potential : 8.908276
Hydrogen bond donor count : 0 Electric dipole moment : 0.647
XLogP : 7.786 VDW volume : 289.174631
Molecular weight : 272.156501 HOMO-LUMO gap : 8.863000
Herb list :
Refrences & Litretures:
  
513.      Journal:'J. of Supercritical Fluids'      Year:'2014'      Volume:'95'      Page:'373'      DOI:'10.1016/j.sup?u.2014.08.009'      Title:'Bio-oil production from Glycyrrhiza glabra through supercritical ?uid extraction'
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