4,4'-(1,5-Dihydrobenzo[1,2-d:4,5-d']diimidazole-2,6-diyl)dibenzonitrile
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Basic information
- CAS
2247996-19-4- Standard SMILES
N#Cc1ccc(-c2nc3cc4nc(-c5ccc(C#N)cc5)[nH]c4cc3[nH]2)cc1- InChIKey
LMCHHBFNHZYAAM-UHFFFAOYSA-N- Molecular formula
- C22H12N6
- Average molar mass
- 360.4 g/mol
- Monoisotopic mass
- 360.11234441
Names & identifiers
- Preferred name
- 4,4'-(1,5-Dihydrobenzo[1,2-d:4,5-d']diimidazole-2,6-diyl)dibenzonitrile
- IUPAC
- 4-[2-(4-cyanophenyl)-3,5-dihydroimidazo[4,5-f]benzimidazol-6-yl]benzonitrile
- English name
- 4,4'-(1,5-dihydrobenzo[1,2-d:4,5-d']diimidazole-2,6-diyl)dibenzonitrile
- Molecular formula
- C22H12N6
- Molecular weight
- 360.38
Names & synonyms
4,4'-(1,5-Dihydrobenzo[1,2-d:4,5-d']diimidazole-2,6-diyl)dibenzonitrile2247996-19-4CS-0170159
Database identifiers
- CAS
2247996-19-4- PubChem CID
- 163197769
Properties
Computed structural propertiesFilling in
- XLogP
- 3.8
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 603
Physicochemical properties
- Boiling point
- 741 · 741.0±70.0 °C(Predicted)
- Density
- 1.49 · 1.49±0.1 g/cm3(Predicted)
- pka
- 9.51 · 9.51±0.40(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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