2,6-Di-tert-butyl-8-phenyl-1,2,4,6,7,8-hexahydrodipyrrolo[3,4-b:3',4'-e]pyridine-3,5-dione
Basic information
- CAS
83793-96-8- Standard SMILES
CC(C)(C)N1CC2=C(NC3=C(CN(C(C)(C)C)C3=O)C2c2ccccc2)C1=O- InChIKey
YHDJIFPIMQDWIO-UHFFFAOYSA-N- Molecular formula
- C23H29N3O2
- Average molar mass
- 379.5 g/mol
- Monoisotopic mass
- 379.22597718
Names & identifiers
- Preferred name
- 2,6-Di-tert-butyl-8-phenyl-1,2,4,6,7,8-hexahydrodipyrrolo[3,4-b:3',4'-e]pyridine-3,5-dione
- IUPAC
- 5,11-ditert-butyl-8-phenyl-2,5,11-triazatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-diene-4,12-dione
Names & synonyms
83793-96-82,6-di-tert-butyl-8-phenyl-1,2,4,6,7,8-hexahydrodipyrrolo[3,4-b:3',4'-e]pyridine-3,5-dioneNSC152421DTXSID00302652NSC-152421
Database identifiers
- CAS
83793-96-8- PubChem CID
- 289950
- DTXSID
DTXSID00302652
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 52.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 717
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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