C128H97N15O15 — CID 165092725
2-(4-dibenzofuran-1-yl-6-propan-2-yloxy-1,3,5-triazin-2-yl)phenol;2-(4-dibenzofuran-2-yl-6-propan-2-yloxy-1,3,5-triazin-2-yl)phenol;2-(4-dibenzofuran-3-yl-6-propan-2-yloxy-1,3,5-triazin-2-yl)phenol;2-(4-dibenzofuran-4-yl-6-propan-2-yloxy-1,3,5-triazin-2-yl)phenol;2-[4-methoxy-6-(9-phenylnaphtho[2,1-b][1]benzofuran-5-yl)-1,3,5-triazin-2-yl]phenol (PubChem CID 165092725) has the molecular formula C128H97N15O15 and a molecular weight of 2085.27 g/mol. Its IUPAC name is 2-(4-dibenzofuran-1-yl-6-propan-2-yloxy-1,3,5-triazin-2-yl)phenol;2-(4-dibenzofuran-2-yl-6-propan-2-yloxy-1,3,5-triazin-2-yl)phenol;2-(4-dibenzofuran-3-yl-6-propan-2-yloxy-1,3,5-triazin-2-yl)phenol;2-(4-dibenzofuran-4-yl-6-propan-2-yloxy-1,3,5-triazin-2-yl)phenol;2-[4-methoxy-6-(9-phenylnaphtho[2,1-b][1]benzofuran-5-yl)-1,3,5-triazin-2-yl]phenol.
| Compound Name | 2-(4-dibenzofuran-1-yl-6-propan-2-yloxy-1,3,5-triazin-2-yl)phenol;2-(4-dibenzofuran-2-yl-6-propan-2-yloxy-1,3,5-triazin-2-yl)phenol;2-(4-dibenzofuran-3-yl-6-propan-2-yloxy-1,3,5-triazin-2-yl)phenol;2-(4-dibenzofuran-4-yl-6-propan-2-yloxy-1,3,5-triazin-2-yl)phenol;2-[4-methoxy-6-(9-phenylnaphtho[2,1-b][1]benzofuran-5-yl)-1,3,5-triazin-2-yl]phenol |
|---|---|
| PubChem CID | 165092725 |
| Molecular Formula | C128H97N15O15 |
| Molecular Weight | 2085.27 g/mol |
| Exact Mass | 2083.73 |
| IUPAC Name | 2-(4-dibenzofuran-1-yl-6-propan-2-yloxy-1,3,5-triazin-2-yl)phenol;2-(4-dibenzofuran-2-yl-6-propan-2-yloxy-1,3,5-triazin-2-yl)phenol;2-(4-dibenzofuran-3-yl-6-propan-2-yloxy-1,3,5-triazin-2-yl)phenol;2-(4-dibenzofuran-4-yl-6-propan-2-yloxy-1,3,5-triazin-2-yl)phenol;2-[4-methoxy-6-(9-phenylnaphtho[2,1-b][1]benzofuran-5-yl)-1,3,5-triazin-2-yl]phenol |
| SMILES | CC(C)Oc1nc(-c2ccc3c(c2)oc2ccccc23)nc(-c2ccccc2O)n1.CC(C)Oc1nc(-c2ccc3oc4ccccc4c3c2)nc(-c2ccccc2O)n1.CC(C)Oc1nc(-c2ccccc2O)nc(-c2cccc3c2oc2ccccc23)n1.CC(C)Oc1nc(-c2ccccc2O)nc(-c2cccc3oc4ccccc4c23)n1.COc1nc(-c2ccccc2O)nc(-c2cc3oc4cc(-c5ccccc5)ccc4c3c3ccccc23)n1 |
| InChI | InChI=1S/C32H21N3O3.4C24H19N3O3/c1-37-32-34-30(23-13-7-8-14-26(23)36)33-31(35-32)25-18-28-29(22-12-6-5-11-21(22)25)24-16-15-20(17-27(24)38-28)19-9-3-2-4-10-19;1-14(2)29-24-26-22(17-9-3-5-12-19(17)28)25-23(27-24)18-11-7-10-16-15-8-4-6-13-20(15)30-21(16)18;1-14(2)29-24-26-22(15-8-3-5-11-18(15)28)25-23(27-24)17-10-7-13-20-21(17)16-9-4-6-12-19(16)30-20;1-14(2)29-24-26-22(25-23(27-24)18-8-3-5-9-19(18)28)15-11-12-17-16-7-4-6-10-20(16)30-21(17)13-15;1-14(2)29-24-26-22(25-23(27-24)17-8-3-5-9-19(17)28)15-11-12-21-18(13-15)16-7-4-6-10-20(16)30-21/h2-18,36H,1H3;4*3-14,28H,1-2H3 |
| InChIKey | WZEXWMAXIYXDAV-UHFFFAOYSA-N |
| XLogP | 30.03 |
| TPSA | 406.35 Ų |
| H-Bond Donors | 5 |
| H-Bond Acceptors | 30 |
| Rotatable Bonds | 20 |
| Heavy Atoms | 158 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2085.27 |
| LogP ≤ 5 | 30.03 |
| H-Bond Donors ≤ 5 | 5 |
| H-Bond Acceptors ≤ 10 | 30 |