Basic information
- CAS
59208-02-5- Standard SMILES
c1ccc2c(c1)nc1n2CCc2nc3ccccc3n2CC1- InChIKey
ONMLRJKNSLTNNE-UHFFFAOYSA-N- Molecular formula
- C18H16N4
- Average molar mass
- 288.3 g/mol
- Monoisotopic mass
- 288.13749653
Names & identifiers
- Preferred name
- 4,11,15,22-Tetrazapentacyclo[13.7.0.04,12.05,10.016,21]docosa-1(22),5,7,9,11,16,18,20-octaene
- IUPAC
- 4,11,15,22-tetrazapentacyclo[13.7.0.04,12.05,10.016,21]docosa-1(22),5,7,9,11,16,18,20-octaene
Names & synonyms
NSC27874759208-02-5DTXSID10330567NSC-2787476,14,15-Tetrahydrobisbenzimidazo[1,2-a.1',2'-e][1,5]diazocineBisbenzimidazo[1,2'-e][1,5]diazocine, 6,7,14,15-tetrahydro-6,7,14,15-Tetrahydro[1,3]benzimidazo[1',2':5,6][1,5]diazocino[1,2-a][1,3]benzimidazole
Database identifiers
- CAS
59208-02-5- PubChem CID
- 430591
- DTXSID
DTXSID10330567- Nikkaji
- J977.477G
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 35.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 376
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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