Basic information
- CAS
107550-90-3- Standard SMILES
CCN1C2=NN3C(=NN2c2ccccc21)N(CC)c1ccccc13- InChIKey
FAZNGEQUKPWKEA-UHFFFAOYSA-N- Molecular formula
- C18H18N6
- Average molar mass
- 318.4 g/mol
- Monoisotopic mass
- 318.1592946
Names & identifiers
- Preferred name
- 5,12-Diethylbis(benzimidazolo)(1,2-b:1',2'-e)(1,2,4,5)tetrazine
- IUPAC
- 10,20-diethyl-2,3,10,12,13,20-hexazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,4,6,8,11,14,16,18-octaene
Names & synonyms
5,12-Diethylbis(benzimidazolo)(1,2-b:1',2'-e)(1,2,4,5)tetrazine107550-90-35,12-Diethylbis(benzimidazolo)[1,2-b:1',2'-e][1,2,4,5]tetrazineDTXSID901480865,12-Diethyl-5H,12H-[1,3]benzimidazo[2',1':3,4][1,2,4,5]tetrazino[1,6-a][1,3]benzimidazole
Database identifiers
- CAS
107550-90-3- PubChem CID
- 145451
- DTXSID
DTXSID90148086
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 37.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 522
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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