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 [C12H14N2]2+
Molecular Weight 186.25 g/mol
Exact Mass 186.1157 Da
InChI
InChI=1S/C12H14N2/c1-13-7-3-11(4-8-13)12-5-9-14(2)10-6-12/h3-10H,1-2H3/q+2
InChIKey
INFDPOAKFNIJBF-UHFFFAOYSA-N
SMILES
C[N+]1=CC=C(C=C1)C2=CC=[N+](C)C=C2
Number of Atoms 28
Number of H-Bond Acceptors 0
Number of H-Bond Donors 0
Atoms in the Largest π-System 12
XLogP 1.9
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