Intramolecular C–H arylation of pyridine derivatives with a palladium catalyst for the synthesis of multiply fused heteroaromatic compounds
Yuki Nakanishi, Shoichi Sugita, Kentaro Okano and Atsunori Mori
Beilstein J. Org. Chem. 2024, 20, 3256–3262.
https://doi.org/10.3762/bjoc.20.269
Chemical Information
Calculated using the Chemistry Development Kit 2.12
| Molecular Formula | C42H46N4O2 |
| Molecular Weight | 638.84 g/mol |
| Exact Mass | 638.3621 Da |
| InChI |
InChI=1S/C42H46N4O2/c1-5-9-15-27(7-3)25-45-35-19-13-11-17-31(35)33-23-29-21-22-30-24-34-32-18-12-14-20-36(32)46(26-28(8-4)16-10-6-2)42(48)40(34)44-38(30)37(29)43-39(33)41(45)47/h11-14,17-24,27-28H,5-10,15-16,25-26H2,1-4H3
|
| InChIKey |
ZSMJVDUAEUUIFC-UHFFFAOYSA-N
|
| SMILES |
CCCCC(CC)CN1C2=C(C=CC=C2)C3=C(C1=O)N=C4C(=C3)C=CC5=CC6=C(C(=O)N(CC(CC)CCCC)C7=C6C=CC=C7)N=C54
|
| Number of Atoms | 94 |
| Number of H-Bond Acceptors | 6 |
| Number of H-Bond Donors | 0 |
| Atoms in the Largest π-System | 32 |
| XLogP | 7.4 |
