3-(Dibutylamino)-7-(dipropylamino)phenothiazin-5-ium iodide
Basic information
- Standard SMILES
CCCCN(CCCC)c1ccc2nc3ccc(N(CCC)CCC)cc3[s+]c2c1.[I-]- InChIKey
DGGLJXDKTHLHAY-UHFFFAOYSA-M- Molecular formula
- C26H38IN3S
- Average molar mass
- 551.6 g/mol
- Monoisotopic mass
- 551.18312
Names & identifiers
- Preferred name
- 3-(Dibutylamino)-7-(dipropylamino)phenothiazin-5-ium iodide
- IUPAC
- [7-(dibutylamino)phenothiazin-3-ylidene]-dipropylazanium iodide
Names & synonyms
SCHEMBL1470298DGGLJXDKTHLHAY-UHFFFAOYSA-M3-(Dibutylamino)-7-(dipropylamino)phenothiazin-5-ium iodide3-(N,N-dibutylamino)-7-(N,N-dipropylamino)-pbenothiazin-5-ium iodide3-(N,N-dibutylamino)-7-(N,N-dipropylamino)-phenothiazin-5-ium iodide813463-03-5
Database identifiers
- PubChem CID
- 11226640
Properties
Computed structural properties
- Topological polar surface area
- 43.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 11
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 660
Related reactions
5 records
Compound notes
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