Basic information
- CAS
31317-52-9- Standard SMILES
N#CC(C#N)=C(C#N)C=Cn1c2ccccc2c2ccccc21- InChIKey
HIKPWXNLAVIYLV-UHFFFAOYSA-N- Molecular formula
- C19H10N4
- Average molar mass
- 294.3 g/mol
- Monoisotopic mass
- 294.09054634
Names & identifiers
- Preferred name
- 1,3-Butadiene-1,1,2-tricarbonitrile, 4-(9H-carbazol-9-yl)-
- IUPAC
- 4-carbazol-9-ylbuta-1,3-diene-1,1,2-tricarbonitrile
Names & synonyms
ChemDiv1_01941931317-52-91,3-Butadiene-1,1,2-tricarbonitrile, 4-(9H-carbazol-9-yl)-Oprea1_835092DTXSID803978694-(9H-carbazol-9-yl)buta-1,3-diene-1,1,2-tricarbonitrile
Database identifiers
- CAS
31317-52-9- PubChem CID
- 3904136
- DTXSID
DTXSID80397869
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 76.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 634
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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