Basic information
- CAS
88837-67-6- Standard SMILES
C[n+]1ccc(Nc2ccc(NC(=O)c3ccc(Nc4cc(-c5ccccc5)[n+](C)c5ccc(N)cc45)cc3)cc2)cc1- InChIKey
MEIIYXGKNYPBHA-UHFFFAOYSA-P- Molecular formula
- C35H32N6O+2
- Average molar mass
- 552.7 g/mol
- Monoisotopic mass
- 552.26375967
Names & identifiers
- Preferred name
- Quinolinium, 6-amino-1-methyl-4-((4-(((4-((1-methylpyridinium-4-yl)amino)phenyl)amino)carbonyl)phenyl)amino)-2-phenyl-
- IUPAC
- 4-[(6-amino-1-methyl-2-phenylquinolin-1-ium-4-yl)amino]-N-[4-[(1-methylpyridin-1-ium-4-yl)amino]phenyl]benzamide
Names & synonyms
88837-67-6Quinolinium, 6-amino-1-methyl-4-((4-(((4-((1-methylpyridinium-4-yl)amino)phenyl)amino)carbonyl)phenyl)amino)-2-phenyl-
Database identifiers
- CAS
88837-67-6- PubChem CID
- 174705
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 86.9 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 42
- Formal charge
- 2
- Complexity
- 840
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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