Basic information
- CAS
30082-52-1- Standard SMILES
COC(=O)c1cc(-c2ccccc2)n(-c2ccccc2)c1-c1ccccc1- InChIKey
CPODSSMPRUTXSV-UHFFFAOYSA-N- Molecular formula
- C24H19NO2
- Average molar mass
- 353.4 g/mol
- Monoisotopic mass
- 353.14157885
Names & identifiers
- Preferred name
- Methyl 1,2,5-triphenylpyrrole-3-carboxylate
- IUPAC
- methyl 1,2,5-triphenylpyrrole-3-carboxylate
Names & synonyms
30082-52-1methyl 1,2,5-triphenylpyrrole-3-carboxylatemethyl 1,2,5-triphenyl-1h-pyrrole-3-carboxylateNSC159471DTXSID10303635NSC-159471
Database identifiers
- CAS
30082-52-1- PubChem CID
- 293149
- DTXSID
DTXSID10303635- Nikkaji
- J3.138.724H
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 31.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 475
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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