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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL440895
CHEMBL440895
Compound Name
ChEMBL Synonyms 1,2-Diphenylethane
Max Phase 0
Trade Names
Molecular Formula C14H14

Additional synonyms for CHEMBL440895 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C(Cc1ccccc1)c2ccccc2
Standard InChI InChI=1S/C14H14/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14/h1-10 ...
Download InChI
Standard InChI Key QWUWMCYKGHVNAV-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL440895

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
182.3 182.1096 4.26 3 0 -


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
0 0 0 0 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 4.61 4.61 2 14 0.67

Structural Alerts

There are no structural alerts for CHEMBL440895

Compound Cross References

ChemSpider ChemSpider:QWUWMCYKGHVNAV-UHFFFAOYSA-N
PubChem SID: 144211137
Wikipedia Bibenzyl

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL440895



ACToR 103-29-7
ChEBI 34047
eMolecules 481723
EPA CompTox Dashboard DTXSID8041668
FDA SRS 007C07V77Z
IBM Patent System 46F40D132D8F224F3C83BB3A790A65D6
KEGG Ligand C14685
LipidMaps LMPK13090043
Mcule MCULE-9769817060
MolPort MolPort-000-255-167
Nikkaji J5.013J
NMRShiftDB 10023938
PubChem 7647
PubChem: Thomson Pharma 15147364
SureChEMBL SCHEMBL62125
ZINC ZINC000001000250

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/QWUWMCYKGHVNAV-UHFFFAOYSA-N spacer
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