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 |