2,3-Dianilino-1,4-diphenylbutane-1,4-dione
Basic information
- CAS
66749-87-9- Standard SMILES
O=C(c1ccccc1)C(Nc1ccccc1)C(Nc1ccccc1)C(=O)c1ccccc1- InChIKey
NJRURWIXTBPPNU-UHFFFAOYSA-N- Molecular formula
- C28H24N2O2
- Average molar mass
- 420.5 g/mol
- Monoisotopic mass
- 420.18377801
Names & identifiers
- Preferred name
- 2,3-Dianilino-1,4-diphenylbutane-1,4-dione
- IUPAC
- 2,3-dianilino-1,4-diphenylbutane-1,4-dione
Names & synonyms
66749-87-92,3-Dianilino-1,4-diphenylbutane-1,4-dioneDTXSID90498154RefChem:244433DTXCID604489641,4-diphenyl-2,3-diphenylaminobutane-1,4-dione
Database identifiers
- CAS
66749-87-9- PubChem CID
- 12434802
- DTXSID
DTXSID90498154
Properties
Computed structural properties
- XLogP
- 7.6
- Topological polar surface area
- 58.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 530
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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