Basic information
- CAS
23352-39-8- Standard SMILES
O=C(Nc1ccc(Br)cc1)N1CCC2N(C(=O)Nc3ccc(Br)cc3)CCC3N(C(=O)Nc4ccc(Br)cc4)CCC1N23- InChIKey
CNGWIOJMLNVHKO-UHFFFAOYSA-N- Molecular formula
- C30H30Br3N7O3
- Average molar mass
- 776.3 g/mol
- Monoisotopic mass
- 772.99603
Names & identifiers
- Preferred name
- N~1~,N~4~,N~7~-Tris(4-bromophenyl)hexahydro-1,4,7,9b-tetraazaphenalene-1,4,7(2H,5H,8H)-tricarboxamide
- IUPAC
- 2-N,6-N,10-N-tris(4-bromophenyl)-2,6,10,13-tetrazatricyclo[7.3.1.05,13]tridecane-2,6,10-tricarboxamide
- English name
- N,N',N''-Tris(p-bromophenyl)dodecahydro-1,4,7,9b-tetraazaphenalene-1,4,7-tricarboxamide
- Molecular formula
- C30H30Br3N7O3
- Molecular weight
- 776.32
Names & synonyms
23352-39-8DTXSID20946017N~1~,N~4~,N~7~-Tris(4-bromophenyl)hexahydro-1,4,7,9b-tetraazaphenalene-1,4,7(2H,5H,8H)-tricarboxamideRefChem:1093399DTXCID301374314BRN 12020451,4,7-Tris(p-bromophenylcarbamoyl)dodecahydro-1,4,7,9b-tetraazaphenalene1,4,7,9b-Tetraazaphenalene, dodecahydro-1,4,7-tris(p-bromophenylcarbamoyl)-N,N',N''-Tris(p-bromophenyl)dodecahydro-1,4,7,9b-tetraazaphenalene-1,4,7-tricarboxamideDodecahydro-1,4,7-tris[(p-bromophenyl)carbamoyl]-1,4,7,9b-tetraaza-1H-phenalene1,4,7,9b-Tetraazaphenalene-1,4,7(2H,5H,8H)-tricarboxanilide, 4',4'',4'''-tribromohexahydro- (8CI)
Database identifiers
- CAS
23352-39-8- PubChem CID
- 211564
- DTXSID
DTXSID20946017- Nikkaji
- J48.775I
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 878
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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