C199H119N17O8 — CID 158843888
2-[3,5-di(dibenzofuran-2-yl)phenyl]-4-phenyl-6-(3-pyridin-2-ylphenyl)-1,3,5-triazine;2-[3,5-di(dibenzofuran-2-yl)phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;2-[3,5-di(dibenzofuran-2-yl)phenyl]-4-phenyl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine;2-[3,5-di(dibenzofuran-2-yl)phenyl]-4-phenyl-6-(3-pyrimidin-2-ylphenyl)-1,3,5-triazine (PubChem CID 158843888) has the molecular formula C199H119N17O8 and a molecular weight of 2876.25 g/mol. Its IUPAC name is 2-[3,5-di(dibenzofuran-2-yl)phenyl]-4-phenyl-6-(3-pyridin-2-ylphenyl)-1,3,5-triazine;2-[3,5-di(dibenzofuran-2-yl)phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;2-[3,5-di(dibenzofuran-2-yl)phenyl]-4-phenyl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine;2-[3,5-di(dibenzofuran-2-yl)phenyl]-4-phenyl-6-(3-pyrimidin-2-ylphenyl)-1,3,5-triazine.
| Compound Name | 2-[3,5-di(dibenzofuran-2-yl)phenyl]-4-phenyl-6-(3-pyridin-2-ylphenyl)-1,3,5-triazine;2-[3,5-di(dibenzofuran-2-yl)phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;2-[3,5-di(dibenzofuran-2-yl)phenyl]-4-phenyl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine;2-[3,5-di(dibenzofuran-2-yl)phenyl]-4-phenyl-6-(3-pyrimidin-2-ylphenyl)-1,3,5-triazine |
|---|---|
| PubChem CID | 158843888 |
| Molecular Formula | C199H119N17O8 |
| Molecular Weight | 2876.25 g/mol |
| Exact Mass | 2873.94 |
| IUPAC Name | 2-[3,5-di(dibenzofuran-2-yl)phenyl]-4-phenyl-6-(3-pyridin-2-ylphenyl)-1,3,5-triazine;2-[3,5-di(dibenzofuran-2-yl)phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;2-[3,5-di(dibenzofuran-2-yl)phenyl]-4-phenyl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine;2-[3,5-di(dibenzofuran-2-yl)phenyl]-4-phenyl-6-(3-pyrimidin-2-ylphenyl)-1,3,5-triazine |
| SMILES | c1ccc(-c2nc(-c3cc(-c4ccc5oc6ccccc6c5c4)cc(-c4ccc5oc6ccccc6c5c4)c3)nc(-c3cccc(-c4ccccn4)c3)n2)cc1.c1ccc(-c2nc(-c3cc(-c4ccc5oc6ccccc6c5c4)cc(-c4ccc5oc6ccccc6c5c4)c3)nc(-c3cccc(-c4ncccn4)c3)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4cccnc4)cc3)nc(-c3cc(-c4ccc5oc6ccccc6c5c4)cc(-c4ccc5oc6ccccc6c5c4)c3)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccncc4)cc3)nc(-c3cc(-c4ccc5oc6ccccc6c5c4)cc(-c4ccc5oc6ccccc6c5c4)c3)n2)cc1 |
| InChI | InChI=1S/3C50H30N4O2.C49H29N5O2/c1-2-11-31(12-3-1)48-52-49(35-14-10-13-34(25-35)43-17-8-9-24-51-43)54-50(53-48)38-27-36(32-20-22-46-41(29-32)39-15-4-6-18-44(39)55-46)26-37(28-38)33-21-23-47-42(30-33)40-16-5-7-19-45(40)56-47;1-2-9-32(10-3-1)48-52-49(33-18-16-31(17-19-33)36-11-8-24-51-30-36)54-50(53-48)39-26-37(34-20-22-46-42(28-34)40-12-4-6-14-44(40)55-46)25-38(27-39)35-21-23-47-43(29-35)41-13-5-7-15-45(41)56-47;1-2-8-33(9-3-1)48-52-49(34-16-14-31(15-17-34)32-22-24-51-25-23-32)54-50(53-48)39-27-37(35-18-20-46-42(29-35)40-10-4-6-12-44(40)55-46)26-38(28-39)36-19-21-47-43(30-36)41-11-5-7-13-45(41)56-47;1-2-10-30(11-3-1)47-52-48(34-13-8-12-33(24-34)46-50-22-9-23-51-46)54-49(53-47)37-26-35(31-18-20-44-40(28-31)38-14-4-6-16-42(38)55-44)25-36(27-37)32-19-21-45-41(29-32)39-15-5-7-17-43(39)56-45/h3*1-30H;1-29H |
| InChIKey | IYOWUMIZXFPGAX-UHFFFAOYSA-N |
| XLogP | 51.66 |
| TPSA | 324.25 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 25 |
| Rotatable Bonds | 24 |
| Heavy Atoms | 224 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2876.25 |
| LogP ≤ 5 | 51.66 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 25 |