3-Nitro-2,4,5-triphenyl-1H-pyrrole
Basic information
- CAS
111029-14-2- Standard SMILES
O=[N+]([O-])c1c(-c2ccccc2)[nH]c(-c2ccccc2)c1-c1ccccc1- InChIKey
GFBTWAULFIFZAV-UHFFFAOYSA-N- Molecular formula
- C22H16N2O2
- Average molar mass
- 340.4 g/mol
- Monoisotopic mass
- 340.12117776
Names & identifiers
- Preferred name
- 3-Nitro-2,4,5-triphenyl-1H-pyrrole
- IUPAC
- 3-nitro-2,4,5-triphenyl-1H-pyrrole
Names & synonyms
3-Nitro-2,4,5-triphenyl-1H-pyrrole111029-14-2DTXSID10562225
Database identifiers
- CAS
111029-14-2- PubChem CID
- 14616641
- DTXSID
DTXSID10562225
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 61.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 459
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Compound notes
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