On the Scent of Dandelion Dendrimers. Part IV. Molecular Modeling of Cyclophosphazenic Dandelion Dendrimers Up to the Fourth Generation

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We recently reported on the neat synthesis of 3-dimensional, 6-functional cyclophosphazenic cores through a regiospecific peraminolysis of N3P3Cl6 by long-chain diamines on suitable solid supports. Preparation of spherical dendrimers (up to the eighth generation) from such cores was achieved through alternate additions of N3P3CI5 flagstones (5-fold multiplier) and of diamino tentacles (linker). The eighth generation possesses 2,343,750 terminal (P-CI) functions (M228,977,179), which are suitable for further nucleophilic substitutions. Molecular modeling shows that the compactness of these dendrimers is extremely low, conferring to these huge monomers a noticeable vacuity for accomodation of host moieties.