chempirical

Triptycene

C20H14CAS 477-75-8254.33 g/mol

Open in Covalent MOL file

Properties

Molecular formula
C20H14
Molar mass
254.33 g/mol
Exact mass
254.1096 Da
Melting point
253.5 °C
logP
4.67Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Hazards

Not classified as hazardous under GHS. Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
477-75-8
SMILES
c1ccc2c(c1)C1c3ccccc3C2c2ccccc21
InChIKey
NGDCLPXRKSWRPY-UHFFFAOYSA-N
InChI
InChI=1S/C20H14/c1-2-8-14-13(7-1)19-15-9-3-5-11-17(15)20(14)18-12-6-4-10-16(18)19/h1-12,19-20H

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

8 names
  • 9,10[1′,2′]-Benzenoanthracene, 9,10-dihydro-
  • 9,10-o-Benzenoanthracene, 9,10-dihydro-
  • 9,10-Benzenoanthracene, 9,10-dihydro-
  • 9,10-Dihydro-9,10[1′,2′]-benzenoanthracene
  • Tribenzobicyclo[2.2.2]octatriene
  • Tryptycene
  • 9,10-Dihydro-9,10-o-benzenoanthracene
  • NSC 122926

Reactions

Work with Triptycene

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Tetrabromo-O-xylene13209-15-947 % similar 1,2-Bis(dichloromethyl)benzene25641-99-047 % similar Fluorenol1689-64-140 % similar 9-Bromofluorene1940-57-440 % similar Fluoren-9-amine525-03-140 % similar 1,4-Dihydro-1,4-epoxynaphthalene573-57-940 % similar O-Cymene527-84-436 % similar 1-Bromo-2-(1-methylethyl)benzene7073-94-136 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

9-Phenylanthracene602-55-1 1,1'-Binaphthyl604-53-5 2,2′-Binaphthalene612-78-2 9-Phenylphenanthrene844-20-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia