chempirical

1,1′,1′′,1′′′-(1,3-Cyclopentadiene-1,2,3,4-tetrayl)tetrakis[benzene]

C29H22CAS 15570-45-3370.50 g/mol

Open in Covalent MOL file
Alkene

Properties

Molecular formula
C29H22
Molar mass
370.50 g/mol
Exact mass
370.1722 Da
Melting point
180 °C
logP
7.61Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
4

Identifiers

CAS number
15570-45-3
SMILES
c1ccc(C2=C(c3ccccc3)C(c3ccccc3)=C(c3ccccc3)C2)cc1
InChIKey
JCXLYAWYOTYWKM-UHFFFAOYSA-N
InChI
InChI=1S/C29H22/c1-5-13-22(14-6-1)26-21-27(23-15-7-2-8-16-23)29(25-19-11-4-12-20-25)28(26)24-17-9-3-10-18-24/h1-20H,21H2

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Names and synonyms

8 names
  • Benzene, 1,1′,1′′,1′′′-(1,3-cyclopentadiene-1,2,3,4-tetrayl)tetrakis-
  • 1,3-Cyclopentadiene, 1,2,3,4-tetraphenyl-
  • Cyclopentadiene, 1,2,3,4-tetraphenyl-
  • 1,2,3,4-Tetraphenyl-1,3-cyclopentadiene
  • 1,2,3,4-Tetraphenylcyclopentadiene
  • TPCP
  • NSC 72113
  • (2,3,4-Triphenylcyclopenta-1,3-dien-1-yl)benzene

Work with 1,1′,1′′,1′′′-(1,3-Cyclopentadiene-1,2,3,4-tetrayl)tetrakis[benzene]

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

Tetraphenylethylene632-51-943 % similar 1,4-Diphenyl-1,4-butanedione495-71-638 % similar Benzophenone imine1013-88-338 % similar Tetraphenyl butadiene1450-63-138 % similar 1,4-Dibenzoylbenzene3016-97-536 % similar 1,6-Diphenyl-1,6-hexanedione3375-38-036 % similar 2-Aminoacetophenone613-89-836 % similar Benzoylacetic acid614-20-035 % similar

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

Elsewhere

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