Sulfated prism[6]arene binds one guest internally and one guest externally

Emmanuel A. Bazan-Bergamino, Steven Ayoub, David L. Mobley and Lyle Isaacs
Beilstein J. Org. Chem. 2026, 22, 1635–1648. https://doi.org/10.3762/bjoc.22.132

Chemical Information

Calculated using the Chemistry Development Kit 2.12
Molecular Formula [C14H30N2]2+
Molecular Weight 226.40 g/mol
Exact Mass 226.2409 Da
InChI
InChI=1S/C14H30N2/c1-15(2)9-5-13(6-10-15)14-7-11-16(3,4)12-8-14/h13-14H,5-12H2,1-4H3/q+2
InChIKey
YEPHWGFHBREWLJ-UHFFFAOYSA-N
SMILES
C[N+]1(C)CCC(CC1)C2CC[N+](C)(C)CC2
Number of Atoms 46
Number of H-Bond Acceptors 0
Number of H-Bond Donors 0
Atoms in the Largest π-System 0
XLogP 1.0
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