Basic information
- CAS
7498-23-9- Standard SMILES
CCCCCCCN(CCCCCCC)c1ccc(/C=C/c2ccnc3ccccc23)cc1- InChIKey
ZHZHTCCKNDKOQF-LVZFUZTISA-N- Molecular formula
- C31H42N2
- Average molar mass
- 442.7 g/mol
- Monoisotopic mass
- 442.33479935
Names & identifiers
- Preferred name
- N,N-diheptyl-4-[(E)-2-quinolin-4-ylethenyl]aniline
- IUPAC
- N,N-diheptyl-4-[(E)-2-quinolin-4-ylethenyl]aniline
Names & synonyms
NSC4073667498-23-9CHEMBL3188731DTXSID20421516NSC-407366NCGC00184525-01NCGC00184525-02NCGC00184525-03N,N-Diheptyl-4-[(E)-2-(quinolin-4-yl)ethen-1-yl]aniline
Database identifiers
- CAS
7498-23-9- PubChem CID
- 5963466
- DTXSID
DTXSID20421516- ChEMBL
CHEMBL3188731
Properties
Computed structural properties
- XLogP
- 10.3
- Topological polar surface area
- 16.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 15
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 493
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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