Basic information
- CAS
88061-91-0- Standard SMILES
BrC1=CC(Br)=C2N=C(N3CCCC3)N=C3N=C(N4CCCC4)N=C1N32- InChIKey
FYCBMTXPBWVQKR-UHFFFAOYSA-N- Molecular formula
- C16H17Br2N7
- Average molar mass
- 467.2 g/mol
- Monoisotopic mass
- 464.99122
Names & identifiers
- Preferred name
- 7,9-Dibromo-2,5-di(pyrrolidin-1-yl)-1,3,4,6,9b-pentaazaphenalene
- IUPAC
- 10,12-dibromo-3,7-dipyrrolidin-1-yl-2,4,6,8,13-pentazatricyclo[7.3.1.05,13]trideca-1(12),2,4,6,8,10-hexaene
Names & synonyms
88061-91-0NSC366234DTXSID903209217,9-Dibromo-2,5-di(pyrrolidin-1-yl)-1,3,4,6,9b-pentaazaphenaleneNSC-366234
Database identifiers
- CAS
88061-91-0- PubChem CID
- 339495
- DTXSID
DTXSID90320921
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 59.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 748
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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