Dibenzo(a,e)-1,5-diazocinium, 5,6,11,12-tetrahydro-, dibromide
Basic information
- CAS
35309-26-3- Standard SMILES
[Br-].[Br-].c1cc[n+]2c(c1)CC[n+]1ccccc1CC2- InChIKey
KMILOUUYEYERHF-UHFFFAOYSA-L- Molecular formula
- C14H16Br2N2
- Average molar mass
- 372.1 g/mol
- Monoisotopic mass
- 369.96802
Names & identifiers
- Preferred name
- Dibenzo(a,e)-1,5-diazocinium, 5,6,11,12-tetrahydro-, dibromide
- IUPAC
- 1,9-diazoniatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaene dibromide
Names & synonyms
3,4,7,8-Tetrahydrodibenzo(a,e)-1,5-diazocinium dibromide35309-26-3DIBENZO(a,e)-1,5-DIAZOCINIUM, 5,6,11,12-TETRAHYDRO-, DIBROMIDERefChem:337053DTXSID509567456,7,13,14-Tetrahydrodipyrido[1,2-a:1',2'-e][1,5]diazocine-5,12-diium dibromide
Database identifiers
- CAS
35309-26-3- PubChem CID
- 37111
- DTXSID
DTXSID50956745
Properties
Computed structural properties
- Topological polar surface area
- 7.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 205
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Compound notes
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