(3-oxo-1,3-dihydro-2-benzofuran-1,1-diyl)bis[5-methyl-2-(propan-2-yl)-4,1-phenylene] di[1,1'-biphenyl]-4-carboxylate
Chemical Structure Depiction of
(3-oxo-1,3-dihydro-2-benzofuran-1,1-diyl)bis[5-methyl-2-(propan-2-yl)-4,1-phenylene] di[1,1'-biphenyl]-4-carboxylate
(3-oxo-1,3-dihydro-2-benzofuran-1,1-diyl)bis[5-methyl-2-(propan-2-yl)-4,1-phenylene] di[1,1'-biphenyl]-4-carboxylate
Compound characteristics
| Compound ID: | Y508-1007 |
| Compound Name: | (3-oxo-1,3-dihydro-2-benzofuran-1,1-diyl)bis[5-methyl-2-(propan-2-yl)-4,1-phenylene] di[1,1'-biphenyl]-4-carboxylate |
| Molecular Weight: | 790.96 |
| Molecular Formula: | C54 H46 O6 |
| Smiles: | CC(C)c1cc(c(C)cc1OC(c1ccc(cc1)c1ccccc1)=O)C1(c2cc(C(C)C)c(cc2C)OC(c2ccc(cc2)c2ccccc2)=O)c2ccccc2C(=O)O1 |
| Stereo: | ACHIRAL |
| logP: | 13.4588 |
| logD: | 13.4588 |
| logSw: | -5.8213 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 61.136 |
| InChI Key: | ZIBFLFSACAGLJK-UHFFFAOYSA-N |