Basic information
- CAS
76893-84-0- Standard SMILES
CC(C)c1cc(C(C)C)c(C(=O)c2ccc(C#N)cc2)c(C(C)C)c1- InChIKey
YEBQNSAPROFVTB-UHFFFAOYSA-N- Molecular formula
- C23H27NO
- Average molar mass
- 333.5 g/mol
- Monoisotopic mass
- 333.20926449
Names & identifiers
- Preferred name
- 4-[2,4,6-Tri(propan-2-yl)benzoyl]benzonitrile
- IUPAC
- 4-[2,4,6-tri(propan-2-yl)benzoyl]benzonitrile
Names & synonyms
4-[2,4,6-Tri(propan-2-yl)benzoyl]benzonitrile76893-84-0DTXSID30822792
Database identifiers
- CAS
76893-84-0- PubChem CID
- 71401774
- DTXSID
DTXSID30822792
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 40.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 471
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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