5-[[5-(2,4-Dimethyl-5-nitrophenyl)-2-furanyl]methylene]-2,3,5,6-tetrahydro-2,2-dimethylbenzo[a]phenanthridin-4(1H)-one
Basic information
- CAS
392663-70-6- Standard SMILES
Cc1cc(C)c([N+](=O)[O-])cc1-c1ccc(C=c2nc3ccc4ccccc4c3c3c2=C(O)CC(C)(C)C3)o1- InChIKey
UWOCWHSZMQIZAB-UHFFFAOYSA-N- Molecular formula
- C32H28N2O4
- Average molar mass
- 504.6 g/mol
- Monoisotopic mass
- 504.20490738
Names & identifiers
- Preferred name
- 5-[[5-(2,4-Dimethyl-5-nitrophenyl)-2-furanyl]methylene]-2,3,5,6-tetrahydro-2,2-dimethylbenzo[a]phenanthridin-4(1H)-one
- IUPAC
- 5-[[5-(2,4-dimethyl-5-nitrophenyl)furan-2-yl]methylidene]-2,2-dimethyl-1,3-dihydrobenzo[a]phenanthridin-4-ol
Names & synonyms
DTXSID601105673392663-70-65-[[5-(2,4-Dimethyl-5-nitrophenyl)-2-furanyl]methylene]-2,3,5,6-tetrahydro-2,2-dimethylbenzo[a]phenanthridin-4(1H)-one
Database identifiers
- CAS
392663-70-6- PubChem CID
- 4288484
- DTXSID
DTXSID601105673
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 91.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 1,150
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Compound notes
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