Star-shaped discotic compounds with tetrazole and oxadiazole fragments

ABSTRACT

Two series of star-shaped discotic compounds (A and B) were studied to establish the relationship between their molecular structure and mesogenity. Series A included 19 three-arm compounds with known mesomorphism. Series B consisted of 132 new compounds with unknown mesomorphism: pyromellitic and cyanuric acid derivatives, 5,5′-azo-bis-isophthalic and 4,4′-azodiphthalic acids and triphenylene derivatives. The columnar mesomorphism prediction data for both series were obtained using the original program СМР ChemCard. The prediction data for series A are in good agreement with the experimental results and the reliability of the prediction was estimated to be 89.5%. The same method was applied for series B. The prediction results were approved by the synthesis of individual representatives of series B. A good correlation of the prediction with the experimental data was revealed.

KEYWORDS:

• Heterocyclic star-shaped compounds
• molecular parameters
• prediction of mesomorphism
• synthesis

Disclosure statement

No potential conflict of interest was reported by the authors.

Additional information

Funding

This work was supported by the Program of the Ministry of Education and Science of the Russian Federation in the framework of the state task for Ivanovo State University to carry out the research work from 2017 to 2019 [grant number 16.1037.2017/PP].