Dodecahydrotriphenylene-4a,8a,12a(2h,4bh,8bh)-tricarbonitrile
Basic information
- CAS
6682-37-7- Standard SMILES
N#CC12CCCCC1C1(C#N)CCCCC1C1(C#N)CCCCC21- InChIKey
RPYCTZWVDDQMJL-UHFFFAOYSA-N- Molecular formula
- C21H27N3
- Average molar mass
- 321.5 g/mol
- Monoisotopic mass
- 321.22049787
Names & identifiers
- Preferred name
- Dodecahydrotriphenylene-4a,8a,12a(2h,4bh,8bh)-tricarbonitrile
- IUPAC
- 2,3,4,4b,5,6,7,8,8b,9,10,11,12,12b-tetradecahydro-1H-triphenylene-4a,8a,12a-tricarbonitrile
Names & synonyms
6682-37-7dodecahydrotriphenylene-4a,8a,12a(2h,4bh,8bh)-tricarbonitrileNSC132874DTXSID20299792NSC-132874
Database identifiers
- CAS
6682-37-7- PubChem CID
- 280745
- DTXSID
DTXSID20299792
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 71.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 583
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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