1,3,5-Triazine-1,3,5(2H,4H,6H)-triethanaminium, N,N,N',N',N'',N''-hexaethyl-2,4,6-trioxo-N,N',N''-tris((4-nitrophenyl)methyl)-, tribromide
Basic information
- CAS
132684-44-7- Standard SMILES
CC[N+](CC)(CCn1c(=O)n(CC[N+](CC)(CC)Cc2ccc([N+](=O)[O-])cc2)c(=O)n(CC[N+](CC)(CC)Cc2cccc([N+](=O)[O-])c2)c1=O)Cc1ccc([N+](=O)[O-])cc1.[Br-].[Br-].[Br-]- InChIKey
GIEFYCPENOHSTJ-UHFFFAOYSA-K- Molecular formula
- C42H60Br3N9O9
- Average molar mass
- 1,074.7 g/mol
- Monoisotopic mass
- 1,071.20641
Names & identifiers
- Preferred name
- 1,3,5-Triazine-1,3,5(2H,4H,6H)-triethanaminium, N,N,N',N',N'',N''-hexaethyl-2,4,6-trioxo-N,N',N''-tris((4-nitrophenyl)methyl)-, tribromide
- IUPAC
- 2-[3,5-bis[2-[diethyl-[(4-nitrophenyl)methyl]azaniumyl]ethyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyl-diethyl-[(3-nitrophenyl)methyl]azanium tribromide
- English name
- [2-(3,5-Bis{2-[diethyl(4-nitrobenzyl)ammonio]ethyl}-2,4,6-trioxo-1,3,5-triazinan-1-yl)ethyl](diethyl)(4-nitrobenzyl)ammonium tribromide
- Molecular weight
- 0
Names & synonyms
1,3,5-Triazine-1,3,5(2H,4H,6H)-triethanaminium, N,N,N',N',N'',N''-hexaethyl-2,4,6-trioxo-N,N',N''-tris((4-nitrophenyl)methyl)-, tribromide132684-44-7RefChem:1052571[2-(3,5-Bis{2-[diethyl(4-nitrobenzyl)ammonio]ethyl}-2,4,6-trioxo-1,3,5-triazinan-1-yl)ethyl](diethyl)(4-nitrobenzyl)ammonium tribromide
Database identifiers
- CAS
132684-44-7- PubChem CID
- 3076897
Properties
Computed structural properties
- Topological polar surface area
- 198 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 21
- Heavy atoms
- 63
- Formal charge
- 0
- Complexity
- 1,380
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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