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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1796022
CHEMBL1796022
Compound Name DIPHENYLMETHANE
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C13H12

Additional synonyms for CHEMBL1796022 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C(c1ccccc1)c2ccccc2
Standard InChI InChI=1S/C13H12/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13/h1-10H,1 ...
Download InChI
Standard InChI Key CZZYITDELCSZES-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1796022

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
168.2 168.0939 3.8 2 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
- - 4.07 4.07 2 13 0.64

Structural Alerts

There are no structural alerts for CHEMBL1796022

Compound Cross References

ChemSpider ChemSpider:CZZYITDELCSZES-UHFFFAOYSA-N
PubChem SID: 144211464
Wikipedia Diphenylmethane

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1796022



ACToR 101-81-5
BindingDB 50346811
Brenda 15317 32204
ChEBI 38884
eMolecules 490956
EPA CompTox Dashboard DTXSID1041891
FDA SRS K3E387I0BC
IBM Patent System 3D2E11EFE1B7F3695E21943F52A3B390
Mcule MCULE-6944706755
MolPort MolPort-001-738-538
Nikkaji J3.597A
NMRShiftDB 10016567
PubChem 7580
PubChem: Thomson Pharma 15171146
SureChEMBL SCHEMBL1303
ZINC ZINC000001680359

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