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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL482091
CHEMBL482091
Compound Name TRIPHENYLPHOSPHINE OXIDE
ChEMBL Synonyms Triphenylphosphine Oxide
Max Phase 0
Trade Names
Molecular Formula C18H15OP

Additional synonyms for CHEMBL482091 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES O=P(c1ccccc1)(c2ccccc2)c3ccccc3
Standard InChI InChI=1S/C18H15OP/c19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17 ...
Download InChI
Standard InChI Key FIQMHBFVRAXMOP-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL482091

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
278.3 278.0861 4.98 3 26.88 -


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
1 0 0 1 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 2.83 2.83 3 20 0.62

Structural Alerts

There are 5 structural alerts for CHEMBL482091. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:FIQMHBFVRAXMOP-UHFFFAOYSA-N
PubChem SID: 144212371
Wikipedia Triphenylphosphine_oxide

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL482091



ACToR 47027-44-1 791-28-6
ChEBI 36601
eMolecules 532933
EPA CompTox Dashboard DTXSID2022121
FDA SRS Z69161FKI3
IBM Patent System 1DBD5A9C774925DB614A4A8D382AF77E
Mcule MCULE-2459953332
MolPort MolPort-000-141-833
Nikkaji J541J
NMRShiftDB 20000643
PubChem 13097
PubChem: Thomson Pharma 14750804
SureChEMBL SCHEMBL3949
ZINC ZINC000049867716

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