Basic information
- CAS
63617-54-9- Standard SMILES
C[N+](C)=c1ccc2nc3c(cc(NCCCNc4cc5oc6cc(=[N+](C)C)ccc-6nc5c5ccccc45)c4ccccc43)oc-2c1.[Cl-]- InChIKey
HOTPTFYYKLGCNX-UHFFFAOYSA-O- Molecular formula
- C39H36ClN6O2+
- Average molar mass
- 656.2 g/mol
- Monoisotopic mass
- 655.2588271
Names & identifiers
- Preferred name
- [5-[3-[(9-Dimethylazaniumylidenebenzo[a]phenoxazin-5-yl)amino]propylamino]benzo[a]phenoxazin-9-ylidene]-dimethylazanium chloride
- IUPAC
- [5-[3-[(9-dimethylazaniumylidenebenzo[a]phenoxazin-5-yl)amino]propylamino]benzo[a]phenoxazin-9-ylidene]-dimethylazanium chloride
Names & synonyms
NSC60455863617-54-9DTXSID20326618NSC-604558
Database identifiers
- CAS
63617-54-9- PubChem CID
- 354083
- DTXSID
DTXSID20326618
Properties
Computed structural properties
- Topological polar surface area
- 73.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 48
- Formal charge
- 1
- Complexity
- 1,380
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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