Also known as [12]kekulene, cyclo[d.e.d.e.d.e.d.e.d.e.d.e]dodecakisbenzene
Kekulene is a polycyclic aromatic hydrocarbon which consists of 12 fused benzene rings arranged in a circle. It is therefore classified as a [12]-circulene with the chemical formula C48H24. It was first synthesized in 1978, and was named in honor of August Kekulé, the discoverer of the structure of the benzene molecule.
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Kekulene is a polycyclic aromatic hydrocarbon which consists of 12 fused benzene rings arranged in a circle. It is therefore classified as a [12]-circulene with the chemical formula C48H24. It was first synthesized in 1978, and was named in honor of August Kekulé, the discoverer of the structure of the benzene molecule.
== Geometry and electronic structure == The nature of the π bonding within the molecule was long debated, as several distinctly different arrangements were possible. The two most significant proposals are the "Clar" configuration, consisting of six benzene-like (aromatic 6 π-electron) rings connected by bridging bonds and vinyl groups in non-aromatic rings, and the "Kekulé" configuration, consisting of two concentric aromatic rings (18 π-electron inner, 30 π-electron outer) linked by radial single bonds.
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Discovered by embedding cosine similarity (sentence-transformers MiniLM, 384-dim).