5-(6-Benzoylbenz(cd)indol-2(1H)-ylidene)-1,3-dimethyl-1H,3H,5H-pyrimidine-2,4,6-trione
Basic information
- CAS
58470-73-8- Standard SMILES
Cn1c(O)c(C2=Nc3ccc(C(=O)c4ccccc4)c4cccc2c34)c(=O)n(C)c1=O- InChIKey
MOCWOVLARTYTRK-UHFFFAOYSA-N- Molecular formula
- C24H17N3O4
- Average molar mass
- 411.4 g/mol
- Monoisotopic mass
- 411.12190603
Overview
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Names & identifiers
- Preferred name
- 5-(6-Benzoylbenz(cd)indol-2(1H)-ylidene)-1,3-dimethyl-1H,3H,5H-pyrimidine-2,4,6-trione
- IUPAC
- 5-(6-benzoylbenzo[cd]indol-2-yl)-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione
- English name
- 5-[6-benzoylbenz[cd]indol-2(1H)-ylidene]-1,3-dimethyl-1H,3H,5H-pyrimidine-2,4,6-trione
- Molecular formula
- C24H17N3O4
- Molecular weight
- 411.41
Names & synonyms
58470-73-85-(6-Benzoylbenz(cd)indol-2(1H)-ylidene)-1,3-dimethyl-1H,3H,5H-pyrimidine-2,4,6-trione5-[6-benzoylbenz[cd]indol-2(1H)-ylidene]-1,3-dimethyl-1H,3H,5H-pyrimidine-2,4,6-trioneEINECS 261-268-4DTXSID70207165MOCWOVLARTYTRK-UHFFFAOYSA-NDB-317107NS000540585-(6-Benzoylbenzo[cd]indol-2(1H)-ylidene)-1,3-dimethyl-1,3-diazinane-2,4,6-trione5-[6-Benzoylbenz[cd]indol-2(1H)-ylidene]-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(6-benzoylbenz[cd]indol-2(1H)-ylidene)-1,3-dimethyl-
Database identifiers
- CAS
58470-73-8- PubChem CID
- 94064
- DTXSID
DTXSID70207165- EC Number
- 261-268-4
- Nikkaji
- J296.948C
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 90.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 872
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