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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL68683
CHEMBL68683
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C26H24P2

Additional synonyms for CHEMBL68683 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C(CP(c1ccccc1)c2ccccc2)P(c3ccccc3)c4ccccc4
Standard InChI InChI=1S/C26H24P2/c1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21- ...
Download InChI
Standard InChI Key QFMZQPDHXULLKC-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL68683

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
398.4 398.1353 5.25 7 0 -


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 6.85 6.85 4 28 0.37

Structural Alerts

There are 3 structural alerts for CHEMBL68683. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:QFMZQPDHXULLKC-UHFFFAOYSA-N
Wikipedia 1,2-Bis(diphenylphosphino)ethane

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL68683



ACToR 1663-45-2
ChEBI 30669
ChemicalBook CB7138139
eMolecules 478076
EPA CompTox Dashboard DTXSID2061858
FDA SRS KL33QE52I4
IBM Patent System A22998280578198FACA0988EC13765B8
Mcule MCULE-9619648237
MolPort MolPort-003-663-634
Nikkaji J126.072C
PubChem 74267
PubChem: Thomson Pharma 14805653
SureChEMBL SCHEMBL27343
ZINC ZINC000001539578

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