Basic information
- CAS
118799-19-2- Standard SMILES
CCCCCc1[nH]cc(-c2ccccc2)c1-c1ccccc1- InChIKey
GVPNNJLJTVVLQZ-UHFFFAOYSA-N- Molecular formula
- C21H23N
- Average molar mass
- 289.4 g/mol
- Monoisotopic mass
- 289.18304974
Names & identifiers
- Preferred name
- 2-Pentyl-3,4-diphenyl-1H-pyrrole
- IUPAC
- 2-pentyl-3,4-diphenyl-1H-pyrrole
Names & synonyms
DTXSID2013026252-Pentyl-3,4-diphenyl-1H-pyrrole118799-19-2
Database identifiers
- CAS
118799-19-2- PubChem CID
- 85579733
- DTXSID
DTXSID201302625
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 15.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 301
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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