Basic information
- CAS
5849-56-9- Standard SMILES
N#Cc1ccc(P(=O)(c2ccccc2)P(=O)(c2ccccc2)c2ccc(C#N)cc2)cc1- InChIKey
LOQRLFDLUYKOGD-UHFFFAOYSA-N- Molecular formula
- C26H18N2O2P2
- Average molar mass
- 452.4 g/mol
- Monoisotopic mass
- 452.08435182
Names & identifiers
- Preferred name
- Lirodenine
- IUPAC
- 4-[[(4-cyanophenyl)-phenylphosphoryl]-phenylphosphoryl]benzonitrile
Names & synonyms
Lirodenine5849-56-9NSC93671SCHEMBL29732960DTXSID40329126NSC-93671DS-0051994-[[(4-cyanophenyl)-phenyl-phosphoryl]-phenyl-phosphoryl]benzonitrile4,4'-(1,2-Dioxo-1,2-diphenyl-1lambda~5~,2lambda~5~-diphosphane-1,2-diyl)dibenzonitrile
Database identifiers
- CAS
5849-56-9- PubChem CID
- 417583
- DTXSID
DTXSID40329126
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 81.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 754
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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