Basic information
- CAS
339096-67-2- Standard SMILES
Cc1c(C=Nc2ccc(Oc3ccc(N=Cc4c(C)c(C#N)c(=O)n(C)c4O)cc3)cc2)c(O)n(C)c(=O)c1C#N- InChIKey
ZYRRPHHOQCSKRH-UHFFFAOYSA-N- Molecular formula
- C30H24N6O5
- Average molar mass
- 548.5 g/mol
- Monoisotopic mass
- 548.18081789
Names & identifiers
- Preferred name
- 3-Pyridinecarbonitrile, 5,5a(2)-[oxybis(4,1-phenyleneiminomethylidyne)]bis[1,2,5,6-tetrahydro-1,4-dimethyl-2,6-dioxo-
- IUPAC
- 5-[[4-[4-[(5-cyano-2-hydroxy-1,4-dimethyl-6-oxo-3-pyridinyl)methylideneamino]phenoxy]phenyl]iminomethyl]-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile
Names & synonyms
DTXSID801106984AKOS001723526339096-67-23-Pyridinecarbonitrile, 5,5a(2)-[oxybis(4,1-phenyleneiminomethylidyne)]bis[1,2,5,6-tetrahydro-1,4-dimethyl-2,6-dioxo-5,5'-[oxybis(4,1-phenyleneazanediylmethanylylidene)]bis(1,4-dimethyl-2,6-dioxo-1,2,5,6-tetrahydropyridine-3-carbonitrile)
Database identifiers
- CAS
339096-67-2- PubChem CID
- 3690896
- DTXSID
DTXSID801106984
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 163 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 1,290
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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