2,6-Diphenylheptanedinitrile
Basic information
- CAS
65542-31-6- Standard SMILES
N#CC(CCCC(C#N)c1ccccc1)c1ccccc1- InChIKey
UCGBWNSSDQAIHA-UHFFFAOYSA-N- Molecular formula
- C19H18N2
- Average molar mass
- 274.4 g/mol
- Monoisotopic mass
- 274.14699858
Names & identifiers
- Preferred name
- 2,6-Diphenylheptanedinitrile
- IUPAC
- 2,6-diphenylheptanedinitrile
Names & synonyms
2,6-diphenylheptanedinitrile65542-31-6DTXSID20314712RefChem:248584DTXCID60265835NSC287522NSC-287522
Database identifiers
- CAS
65542-31-6- PubChem CID
- 324018
- DTXSID
DTXSID20314712- Nikkaji
- J2.597.727K
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 47.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 346
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Related reactions
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Compound notes
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