chempirical

1,3-Diphenylisobenzofuran

C20H14OCAS 5471-63-6270.33 g/mol

Open in Covalent MOL file
O

Properties

Molecular formula
C20H14O
Molar mass
270.33 g/mol
Exact mass
270.1045 Da
Melting point
125 °C
logP
5.77Crippen estimate
Polar surface area
13.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
5471-63-6
SMILES
c1ccc(-c2oc(-c3ccccc3)c3ccccc23)cc1
InChIKey
ZKSVYBRJSMBDMV-UHFFFAOYSA-N
InChI
InChI=1S/C20H14O/c1-3-9-15(10-4-1)19-17-13-7-8-14-18(17)20(21-19)16-11-5-2-6-12-16/h1-14H

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Names and synonyms

6 names
  • Isobenzofuran, 1,3-diphenyl-
  • 1,3-Diphenylbenzo[c]furan
  • Diphenylisobenzofuran
  • NSC 28407
  • 1,3-Isobenzofurandiol
  • DPBF

Work with 1,3-Diphenylisobenzofuran

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

4,5-Diphenyl-1,3-dioxol-2-one21240-34-650 % similar Rubrene517-51-150 % similar 9,10-Diphenylanthracene1499-10-148 % similar 9,10-Diphenylphenanthrene602-15-345 % similar 1,2,3,4-Tetraphenylnaphthalene751-38-245 % similar 2,5-Diphenylfuran955-83-945 % similar Biphenyl92-52-444 % similar 3-Hydroxyflavone577-85-542 % similar

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

Same formula

9,10-Dihydrobenzo[a]pyren-7(8H)-one3331-46-2 2-Naphthyl ether613-80-9

Elsewhere

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