6-N-[8-[[9-(dimethylamino)benzo[a]phenoxazin-7-ium-5-yl]amino]naphthalen-1-yl]-9-N,9-N-dimethylbenzo[a]phenoxazin-7-ium-6,9-diamine chloride
Basic information
- CAS
63617-52-7- Standard SMILES
CN(C)c1ccc2nc3c(cc(Nc4cccc5cccc(Nc6cc7ccccc7c7nc8ccc(N(C)C)cc8[o+]c67)c45)c4ccccc43)[o+]c2c1.[Cl-]- InChIKey
SBKJVFVMPTWKNG-UHFFFAOYSA-M- Molecular formula
- C46H36ClN6O2+
- Average molar mass
- 740.3 g/mol
- Monoisotopic mass
- 739.2588271
Names & identifiers
- Preferred name
- 6-N-[8-[[9-(dimethylamino)benzo[a]phenoxazin-7-ium-5-yl]amino]naphthalen-1-yl]-9-N,9-N-dimethylbenzo[a]phenoxazin-7-ium-6,9-diamine chloride
- IUPAC
- 6-N-[8-[[9-(dimethylamino)benzo[a]phenoxazin-7-ium-5-yl]amino]naphthalen-1-yl]-9-N,9-N-dimethylbenzo[a]phenoxazin-7-ium-6,9-diamine chloride
Names & synonyms
NSC60455763617-52-7DTXSID60326617NSC-604557
Database identifiers
- CAS
63617-52-7- PubChem CID
- 354081
- DTXSID
DTXSID60326617
Properties
Computed structural properties
- Topological polar surface area
- 58.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 55
- Formal charge
- 1
- Complexity
- 1,270
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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