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 structure [C<sub>28</sub>H<sub>28</sub>N<sub>2</sub>]<sup>2+</sup>](/bjoc/content/substance/1860-5397-22-132-IHFMFSGRXPCLSZ-UHFFFAOYSA-N.svg)
Chemical Information
Calculated using the Chemistry Development Kit 2.12
| Molecular Formula | [C28H28N2]2+ |
| Molecular Weight | 392.54 g/mol |
| Exact Mass | 392.2253 Da |
| InChI |
InChI=1S/C28H28N2/c1-29-15-11-25(12-16-29)27-19-21-3-7-23(27)9-5-22-4-8-24(10-6-21)28(20-22)26-13-17-30(2)18-14-26/h3-4,7-8,11-20H,5-6,9-10H2,1-2H3/q+2
|
| InChIKey |
IHFMFSGRXPCLSZ-UHFFFAOYSA-N
|
| SMILES |
C[N+]1=CC=C(C=C1)C2=CC3=CC=C2CCC4=CC=C(CC3)C(=C4)C5=CC=[N+](C)C=C5
|
| Number of Atoms | 58 |
| Number of H-Bond Acceptors | 0 |
| Number of H-Bond Donors | 0 |
| Atoms in the Largest π-System | 12 |
| XLogP | 6.3 |
