C145H81N11O9 — CID 157479339
2-dibenzofuran-3-yl-4-(4-dibenzofuran-2-yldibenzofuran-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine;2-dibenzofuran-3-yl-4-(4-dibenzofuran-2-yldibenzofuran-1-yl)-6-(2-pyridin-3-ylphenyl)-1,3,5-triazine;2-dibenzofuran-3-yl-4-(4-dibenzofuran-2-yldibenzofuran-1-yl)-6-pyridin-3-yl-1,3,5-triazine (PubChem CID 157479339) has the molecular formula C145H81N11O9 and a molecular weight of 2121.31 g/mol. Its IUPAC name is 2-dibenzofuran-3-yl-4-(4-dibenzofuran-2-yldibenzofuran-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine;2-dibenzofuran-3-yl-4-(4-dibenzofuran-2-yldibenzofuran-1-yl)-6-(2-pyridin-3-ylphenyl)-1,3,5-triazine;2-dibenzofuran-3-yl-4-(4-dibenzofuran-2-yldibenzofuran-1-yl)-6-pyridin-3-yl-1,3,5-triazine.
| Compound Name | 2-dibenzofuran-3-yl-4-(4-dibenzofuran-2-yldibenzofuran-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine;2-dibenzofuran-3-yl-4-(4-dibenzofuran-2-yldibenzofuran-1-yl)-6-(2-pyridin-3-ylphenyl)-1,3,5-triazine;2-dibenzofuran-3-yl-4-(4-dibenzofuran-2-yldibenzofuran-1-yl)-6-pyridin-3-yl-1,3,5-triazine |
|---|---|
| PubChem CID | 157479339 |
| Molecular Formula | C145H81N11O9 |
| Molecular Weight | 2121.31 g/mol |
| Exact Mass | 2119.62 |
| IUPAC Name | 2-dibenzofuran-3-yl-4-(4-dibenzofuran-2-yldibenzofuran-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine;2-dibenzofuran-3-yl-4-(4-dibenzofuran-2-yldibenzofuran-1-yl)-6-(2-pyridin-3-ylphenyl)-1,3,5-triazine;2-dibenzofuran-3-yl-4-(4-dibenzofuran-2-yldibenzofuran-1-yl)-6-pyridin-3-yl-1,3,5-triazine |
| SMILES | c1ccc(-c2cccc(-c3nc(-c4ccc5c(c4)oc4ccccc45)nc(-c4ccc(-c5ccc6oc7ccccc7c6c5)c5oc6ccccc6c45)n3)c2)cc1.c1cncc(-c2ccccc2-c2nc(-c3ccc4c(c3)oc3ccccc34)nc(-c3ccc(-c4ccc5oc6ccccc6c5c4)c4oc5ccccc5c34)n2)c1.c1cncc(-c2nc(-c3ccc4c(c3)oc3ccccc34)nc(-c3ccc(-c4ccc5oc6ccccc6c5c4)c4oc5ccccc5c34)n2)c1 |
| InChI | InChI=1S/C51H29N3O3.C50H28N4O3.C44H24N4O3/c1-2-11-30(12-3-1)31-13-10-14-33(27-31)49-52-50(34-21-23-38-36-15-4-7-18-42(36)56-46(38)29-34)54-51(53-49)40-25-24-35(48-47(40)39-17-6-9-20-44(39)57-48)32-22-26-45-41(28-32)37-16-5-8-19-43(37)55-45;1-2-14-37(32(11-1)31-10-9-25-51-28-31)49-52-48(30-19-21-36-34-12-3-6-16-41(34)56-45(36)27-30)53-50(54-49)39-23-22-33(47-46(39)38-15-5-8-18-43(38)57-47)29-20-24-44-40(26-29)35-13-4-7-17-42(35)55-44;1-4-12-35-29(9-1)31-17-15-26(23-39(31)50-35)42-46-43(27-8-7-21-45-24-27)48-44(47-42)33-19-18-28(41-40(33)32-11-3-6-14-37(32)51-41)25-16-20-38-34(22-25)30-10-2-5-13-36(30)49-38/h1-29H;1-28H;1-24H |
| InChIKey | BVYZXWCORGGTBB-UHFFFAOYSA-N |
| XLogP | 38.84 |
| TPSA | 260.05 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 20 |
| Rotatable Bonds | 14 |
| Heavy Atoms | 165 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2121.31 |
| LogP ≤ 5 | 38.84 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 20 |