C129H75N9O6 — CID 163570475
2-dibenzofuran-1-yl-4-(4-naphtho[2,3-b][1]benzofuran-1-ylphenyl)-6-phenyl-1,3,5-triazine;2-dibenzofuran-2-yl-4-(4-naphtho[2,3-b][1]benzofuran-1-ylphenyl)-6-phenyl-1,3,5-triazine;2-dibenzofuran-3-yl-4-(4-naphtho[2,3-b][1]benzofuran-1-ylphenyl)-6-phenyl-1,3,5-triazine (PubChem CID 163570475) has the molecular formula C129H75N9O6 and a molecular weight of 1847.08 g/mol. Its IUPAC name is 2-dibenzofuran-1-yl-4-(4-naphtho[2,3-b][1]benzofuran-1-ylphenyl)-6-phenyl-1,3,5-triazine;2-dibenzofuran-2-yl-4-(4-naphtho[2,3-b][1]benzofuran-1-ylphenyl)-6-phenyl-1,3,5-triazine;2-dibenzofuran-3-yl-4-(4-naphtho[2,3-b][1]benzofuran-1-ylphenyl)-6-phenyl-1,3,5-triazine.
| Compound Name | 2-dibenzofuran-1-yl-4-(4-naphtho[2,3-b][1]benzofuran-1-ylphenyl)-6-phenyl-1,3,5-triazine;2-dibenzofuran-2-yl-4-(4-naphtho[2,3-b][1]benzofuran-1-ylphenyl)-6-phenyl-1,3,5-triazine;2-dibenzofuran-3-yl-4-(4-naphtho[2,3-b][1]benzofuran-1-ylphenyl)-6-phenyl-1,3,5-triazine |
|---|---|
| PubChem CID | 163570475 |
| Molecular Formula | C129H75N9O6 |
| Molecular Weight | 1847.08 g/mol |
| Exact Mass | 1845.58 |
| IUPAC Name | 2-dibenzofuran-1-yl-4-(4-naphtho[2,3-b][1]benzofuran-1-ylphenyl)-6-phenyl-1,3,5-triazine;2-dibenzofuran-2-yl-4-(4-naphtho[2,3-b][1]benzofuran-1-ylphenyl)-6-phenyl-1,3,5-triazine;2-dibenzofuran-3-yl-4-(4-naphtho[2,3-b][1]benzofuran-1-ylphenyl)-6-phenyl-1,3,5-triazine |
| SMILES | c1ccc(-c2nc(-c3ccc(-c4cccc5oc6cc7ccccc7cc6c45)cc3)nc(-c3ccc4c(c3)oc3ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4cccc5oc6cc7ccccc7cc6c45)cc3)nc(-c3ccc4oc5ccccc5c4c3)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4cccc5oc6cc7ccccc7cc6c45)cc3)nc(-c3cccc4oc5ccccc5c34)n2)cc1 |
| InChI | InChI=1S/3C43H25N3O2/c1-2-10-27(11-3-1)41-44-42(46-43(45-41)33-16-9-19-37-40(33)32-14-6-7-17-35(32)47-37)28-22-20-26(21-23-28)31-15-8-18-36-39(31)34-24-29-12-4-5-13-30(29)25-38(34)48-36;1-2-9-27(10-3-1)41-44-42(46-43(45-41)31-21-22-37-34(24-31)33-13-6-7-15-36(33)47-37)28-19-17-26(18-20-28)32-14-8-16-38-40(32)35-23-29-11-4-5-12-30(29)25-39(35)48-38;1-2-9-27(10-3-1)41-44-42(46-43(45-41)31-21-22-34-33-13-6-7-15-36(33)47-38(34)25-31)28-19-17-26(18-20-28)32-14-8-16-37-40(32)35-23-29-11-4-5-12-30(29)24-39(35)48-37/h3*1-25H |
| InChIKey | FYXFDWABMMYOHD-UHFFFAOYSA-N |
| XLogP | 34.47 |
| TPSA | 194.85 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 15 |
| Rotatable Bonds | 12 |
| Heavy Atoms | 144 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1847.08 |
| LogP ≤ 5 | 34.47 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 15 |