Basic information
- Standard SMILES
Clc1c(Cl)[n+](Cc2cc(C[n+]3cn(Cc4ccc5ccccc5c4)c(Cl)c3Cl)cc(C[n+]3cn(Cc4ccc5ccccc5c4)c(Cl)c3Cl)c2)cn1Cc1ccc2ccccc2c1.[Br-].[Br-].[Br-]- InChIKey
SBMDZZXHVYHWPY-UHFFFAOYSA-K- Molecular formula
- C51H39Br3Cl6N6
- Average molar mass
- 1,188.3 g/mol
- Monoisotopic mass
- 1,181.89175
Names & identifiers
- Preferred name
- 3,3',3''-(benzene-1,3,5-triyltris(methylene))tris(4,5-dichloro-1-(naphthalen-2-ylmethyl)-1H-imidazol-3-ium) bromide
- IUPAC
- 1-[[3,5-bis[[4,5-dichloro-3-(naphthalen-2-ylmethyl)imidazol-1-ium-1-yl]methyl]phenyl]methyl]-4,5-dichloro-3-(naphthalen-2-ylmethyl)imidazol-1-ium tribromide
Names & synonyms
SCHEMBL15707959SBMDZZXHVYHWPY-UHFFFAOYSA-K3,3',3''-(benzene-1,3,5-triyltris(methylene))tris(4,5-dichloro-1-(naphthalen-2-ylmethyl)-1H-imidazol-3-ium) bromide
Database identifiers
- PubChem CID
- 86719620
Properties
Computed structural properties
- Topological polar surface area
- 26.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 12
- Heavy atoms
- 66
- Formal charge
- 0
- Complexity
- 1,290
Related reactions
1 records
Compound notes
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