Tying a knot between crown ethers and porphyrins
Maksym Matviyishyn and Bartosz Szyszko
Beilstein J. Org. Chem. 2023, 19, 1630–1650.
https://doi.org/10.3762/bjoc.19.120
Chemical Information
Calculated using the Chemistry Development Kit 2.12
| Molecular Formula | C32H47N5O2 |
| Molecular Weight | 533.75 g/mol |
| Exact Mass | 533.3730 Da |
| InChI |
InChI=1S/C32H47N5O2/c1-7-23-21(5)31-19-33-11-13-38-15-16-39-14-12-34-20-32-22(6)24(8-2)28(37-32)18-30-26(10-4)25(9-3)29(35-30)17-27(23)36-31/h19-20,35-37H,7-18H2,1-6H3
|
| InChIKey |
JNDITUJDSDOAFY-UHFFFAOYSA-N
|
| SMILES |
CCC1=C2CC3=C(CC)C(=C(CC4=C(CC)C(=C(C=NCCOCCOCCN=CC(=C1C)N2)N4)C)N3)CC
|
| Number of Atoms | 86 |
| Number of H-Bond Acceptors | 7 |
| Number of H-Bond Donors | 3 |
| Atoms in the Largest π-System | 7 |
| XLogP | 4.1 |
