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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL223309
CHEMBL223309
Compound Name DIPHENYLACETYLENE
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C14H10

Additional synonyms for CHEMBL223309 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES c1ccc(cc1)C#Cc2ccccc2
Standard InChI InChI=1S/C14H10/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14/h1-10 ...
Download InChI
Standard InChI Key JRXXLCKWQFKACW-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL223309

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
178.2 178.0783 3.09 0 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
- - 4.73 4.73 2 14 0.54

Structural Alerts

There are 1 structural alerts for CHEMBL223309. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:JRXXLCKWQFKACW-UHFFFAOYSA-N
Wikipedia Diphenylacetylene

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL223309



ACToR 501-65-5
ChEBI 51579
eMolecules 507213
EPA CompTox Dashboard DTXSID4060109
FDA SRS Y70JA8HB75
IBM Patent System 35D7622B9202AF7E3059EE8A54A6A26A
Mcule MCULE-8650498177
MolPort MolPort-001-780-201
Nikkaji J6.193J
NMRShiftDB 10016577
PubChem 10390
PubChem: Thomson Pharma 15091576
SureChEMBL SCHEMBL68254
ZINC ZINC000001680756

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