Computational analysis of Organobismuth compounds and their potential application

3. C 38 H 14 BiBr 2 F 15 N 2 O 6

Figure 2. Showing 2-D and 3-D Structures of Pentavalent Organobismuth Compounds

Above Figure shows the molecular formula, 2-D structure and 3-D structures of

3 pentavalent organobismuth compounds. Bismuth compounds taken in Figure 2

as organobismuth compounds has pentavalent oxidation state and there are lots of

journals (Tripathi et al, 2011) etc. which predicted that pentavalent organobismuth

compounds can show anti-tumor activity. As the present study is to find which

compound can show best activity against tumor cells so all the possibilities are

considered. Aromatic amide increases anti-tumor activity of the compounds hence

it was attached to bismuth to form organobismuth compounds.

2-D structures were generated with the help of Pubchem structure search online

server whereas 3-D structures were generated with the help of Molinspiration.

S.n.

Ligand

2-D Structure

3-D Structure

Trivalent Compounds

(C h ) Bi(Nr ₂ )

6 5 2

1.

C 21 H 5 BiClF 10 NO

2.

C 20 H 3 BiBrF 10 NO 2

3.

C 22 H 7 BiBrF 10 NO 3

International Journal of Bioinformatics and Biological Sciences : v.2 n.3&4. Dec. 2014

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