Basic information
- CAS
3339-86-4- Standard SMILES
CCOC(=O)C1=C(C(=O)OCC)C(c2ccccc2)N(c2ccccc2)C1c1ccccc1- InChIKey
NHOFTFPUBOZDPJ-UHFFFAOYSA-N- Molecular formula
- C28H27NO4
- Average molar mass
- 441.5 g/mol
- Monoisotopic mass
- 441.19400834
Names & identifiers
- Preferred name
- Diethyl 1,2,5-triphenyl-2,5-dihydropyrrole-3,4-dicarboxylate
- IUPAC
- diethyl 1,2,5-triphenyl-2,5-dihydropyrrole-3,4-dicarboxylate
Names & synonyms
3339-86-4diethyl 1,2,5-triphenyl-2,5-dihydropyrrole-3,4-dicarboxylateDTXSID80295674RefChem:337723DTXCID70246812diethyl 1,2,5-triphenyl-2,5-dihydro-1h-pyrrole-3,4-dicarboxylateNSC103875NSC-103875DS-000311
Database identifiers
- CAS
3339-86-4- PubChem CID
- 266397
- DTXSID
DTXSID80295674
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 649
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…