1,3,5-Triazine-1,3,5(2H,4H,6H)-triethanaminium, N,N,N',N',N'',N''-hexamethyl-2,4,6-trioxo-N,N',N''-tris((3-methylphenyl)methyl)-, tribromide
Basic information
- CAS
132684-41-4- Standard SMILES
Cc1cccc(C[N+](C)(C)CCn2c(=O)n(CC[N+](C)(C)Cc3ccccc3C)c(=O)n(CC[N+](C)(C)Cc3ccccc3C)c2=O)c1.[Br-].[Br-].[Br-]- InChIKey
RWAFJRAJSDOUBB-UHFFFAOYSA-K- Molecular formula
- C39H57Br3N6O3
- Average molar mass
- 897.6 g/mol
- Monoisotopic mass
- 894.20423
Names & identifiers
- Preferred name
- 1,3,5-Triazine-1,3,5(2H,4H,6H)-triethanaminium, N,N,N',N',N'',N''-hexamethyl-2,4,6-trioxo-N,N',N''-tris((3-methylphenyl)methyl)-, tribromide
- IUPAC
- 2-[3,5-bis[2-[dimethyl-[(2-methylphenyl)methyl]azaniumyl]ethyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyl-dimethyl-[(3-methylphenyl)methyl]azanium tribromide
Names & synonyms
132684-41-41,3,5-Triazine-1,3,5(2H,4H,6H)-triethanaminium, N,N,N',N',N'',N''-hexamethyl-2,4,6-trioxo-N,N',N''-tris((3-methylphenyl)methyl)-, tribromideRefChem:217327DTXSID909277722,2'-[5-(2-{Dimethyl[(3-methylphenyl)methyl]azaniumyl}ethyl)-2,4,6-trioxo-1,3,5-triazinane-1,3-diyl]bis{N,N-dimethyl-N-[(2-methylphenyl)methyl]ethan-1-aminium} tribromide
Database identifiers
- CAS
132684-41-4- PubChem CID
- 3076891
- DTXSID
DTXSID90927772
Properties
Computed structural properties
- Topological polar surface area
- 60.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 15
- Heavy atoms
- 51
- Formal charge
- 0
- Complexity
- 1,030
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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