2,3-Dicyano-5,6-diphenylpyrazine
Basic information
- CAS
52197-23-6- Standard SMILES
N#Cc1nc(-c2ccccc2)c(-c2ccccc2)nc1C#N- InChIKey
KHQNNRFYGOENPJ-UHFFFAOYSA-N- Molecular formula
- C18H10N4
- Average molar mass
- 282.3 g/mol
- Monoisotopic mass
- 282.09054634
Names & identifiers
- Preferred name
- 2,3-Dicyano-5,6-diphenylpyrazine
- IUPAC
- 5,6-diphenylpyrazine-2,3-dicarbonitrile
- English name
- 2,3-Dicyano-5,6-diphenylpyrazine
- Molecular formula
- C18H10N4
- Molecular weight
- 282.3
Names & synonyms
2,3-Dicyano-5,6-diphenylpyrazine52197-23-65,6-diphenylpyrazine-2,3-dicarbonitrile5,6-Diphenyl-2,3-dicyanopyrazineNSC 1739495,6-Diphenyl-2,3-pyrazinedicarbonitrileNSC173949Maybridge1_007865Oprea1_103919Oprea1_211383SCHEMBL7537686CHEMBL1172820
Show more names
5,6-diphenyl pyrazine-2,3-dicarbonitrile
HMS563N11DTXSID00306059KHQNNRFYGOENPJ-UHFFFAOYSA-NCCG-46534STL002344AKOS022093678NSC-1739492,3-Pyrazinedicarbonitrile, 5,6-diphenyl-
Database identifiers
- CAS
52197-23-6- PubChem CID
- 299949
- DTXSID
DTXSID00306059- ChEMBL
CHEMBL1172820- Nikkaji
- J542.754A
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 73.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 414
Physicochemical properties
- Melting point
- 252 · 252-255°C
- storage temp.
- Refrigerator
- solubility
- Chloroform, Dichloromethane
- form
- Solid
- color
- Pale Brown
Chemistry & industry
Applications
UsesPotential antineoplastic agent.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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