Basic information
- CAS
15811-42-4- Standard SMILES
c1ccc(-c2cc(-c3ccccc3)n(C3CCCCC3)c2)cc1- InChIKey
QOOAUXQGDNWSCY-UHFFFAOYSA-N- Molecular formula
- C22H23N
- Average molar mass
- 301.4 g/mol
- Monoisotopic mass
- 301.18304974
Names & identifiers
- Preferred name
- 1-Cyclohexyl-2,4-diphenylpyrrole
- IUPAC
- 1-cyclohexyl-2,4-diphenylpyrrole
- English name
- 1-Cyclohexyl-2,4-diphenyl-1H-pyrrole
- Molecular formula
- C22H23N
- Molecular weight
- 301.42
Names & synonyms
1-cyclohexyl-2,4-diphenylpyrrole1-Cyclohexyl-2,4-diphenyl-1H-pyrrole15811-42-4Pyrrole, 1-cyclohexyl-2,4-diphenyl-1H-Pyrrole, 1-cyclohexyl-2,4-diphenyl-DTXSID90346540QOOAUXQGDNWSCY-UHFFFAOYSA-N1-Cyclohexyl-2,4-diphenyl-1H-pyrrole #
Database identifiers
- CAS
15811-42-4- PubChem CID
- 613109
- DTXSID
DTXSID90346540- Nikkaji
- J104.068E
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 4.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 347
Physicochemical properties
- Melting point
- 83.5 · 83.5-85.0 °C
- Boiling point
- 464.7 · 464.7±24.0 °C(Predicted)
- Density
- 1.06 · 1.06±0.1 g/cm3(Predicted)
- pka
- -3.93 · -3.93±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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