Hexaphenylbenzene

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Hexaphenylbenzene
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Hexaphenylbenzene is an aromatic compound composed of a benzene ring substituted with six phenyl rings. It is a colorless solid. The compound is the parent member of a wider class of hexaarylbenzenes, which are mainly of theoretical interest.[1]

Preparation

It is prepared by heating tetraphenylcyclopentadienone and diphenylacetylene in benzophenone or other high-temperature solvent. The reaction proceeds via a Diels–Alder reaction to give the hexaphenyldienone, which then eliminates carbon monoxide.[2]

Hexaphenylbenzene synthesis

Together with 1,2,3,4-tetraphenylnaphthalene, hexaphenylbenzene forms by the chromium-catalyzed oligomerization of diphenylacetylene.[3] It may also be prepared by the dicobalt octacarbonyl-catalyzed alkyne trimerisation of diphenylacetylene.[1]

Diphenylacetylene cyclotrimerization using dicobalt octacarbonyl

Structure

File:Hexaphenylbenzene xtal perspective.png
Perspective view of the crystal structure of hexaphenylbenzene, showing the rotation of the phenyl rings. Hydrogen atoms have been omitted for clarity.[4]

The stable conformation of this molecule has the phenyl rings rotated out of the plane of the central benzene ring. The molecule adopts a propeller-like conformation in which the phenyl rings are rotated about 65°,[4] while in the gas phase, they are perpendicular with some slight oscillations.[5]

References

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