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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL365739
CHEMBL365739
Compound Name DIPHENYLENEIODONIUM
ChEMBL Synonyms Dibenziodolium Chloride | Diphenyleneiodonium
Max Phase 0
Trade Names
Molecular Formula C12H8I

Additional synonyms for CHEMBL365739 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES [I+]1c2ccccc2c3ccccc13
Standard InChI InChI=1S/C12H8I/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8H ...
Download InChI
Standard InChI Key QFXKXRXFBRLLPQ-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL365739

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
279.1 278.9671 3.78 0 38.49 -


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
- - - - 2 13 0.66

Structural Alerts

There are 8 structural alerts for CHEMBL365739. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:QFXKXRXFBRLLPQ-UHFFFAOYSA-N
PubChem SID: 11111058 SID: 11113534 SID: 124879853 SID: 124879855 SID: 26751745 SID: 50104439 SID: 50104440 SID: 90341135

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL365739



ACToR 4843-42-9 4510-83-2 123773-57-9
BindingDB 50206334
Brenda 56841 4422 1616 135350 18212
ChEBI 77986
eMolecules 1934755
FDA SRS 6HJ411TU98
LINCS LSM-3467
Mcule MCULE-8110723807
Nikkaji J79.541K
NMRShiftDB 20204289
PubChem 3101
PubChem: Thomson Pharma 14824402
SureChEMBL SCHEMBL219548
ZINC ZINC000100014654

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