C180H100N12O12 — CID 157059283
2-dibenzofuran-1-yl-4-dibenzofuran-2-yl-6-(4-dibenzofuran-1-ylphenyl)-1,3,5-triazine;2-dibenzofuran-1-yl-4-dibenzofuran-3-yl-6-(4-dibenzofuran-1-ylphenyl)-1,3,5-triazine;2-dibenzofuran-1-yl-4-dibenzofuran-4-yl-6-(3-dibenzofuran-1-ylphenyl)-1,3,5-triazine;2,4-di(dibenzofuran-1-yl)-6-(4-dibenzofuran-1-ylphenyl)-1,3,5-triazine (PubChem CID 157059283) has the molecular formula C180H100N12O12 and a molecular weight of 2622.85 g/mol. Its IUPAC name is 2-dibenzofuran-1-yl-4-dibenzofuran-2-yl-6-(4-dibenzofuran-1-ylphenyl)-1,3,5-triazine;2-dibenzofuran-1-yl-4-dibenzofuran-3-yl-6-(4-dibenzofuran-1-ylphenyl)-1,3,5-triazine;2-dibenzofuran-1-yl-4-dibenzofuran-4-yl-6-(3-dibenzofuran-1-ylphenyl)-1,3,5-triazine;2,4-di(dibenzofuran-1-yl)-6-(4-dibenzofuran-1-ylphenyl)-1,3,5-triazine.
| Compound Name | 2-dibenzofuran-1-yl-4-dibenzofuran-2-yl-6-(4-dibenzofuran-1-ylphenyl)-1,3,5-triazine;2-dibenzofuran-1-yl-4-dibenzofuran-3-yl-6-(4-dibenzofuran-1-ylphenyl)-1,3,5-triazine;2-dibenzofuran-1-yl-4-dibenzofuran-4-yl-6-(3-dibenzofuran-1-ylphenyl)-1,3,5-triazine;2,4-di(dibenzofuran-1-yl)-6-(4-dibenzofuran-1-ylphenyl)-1,3,5-triazine |
|---|---|
| PubChem CID | 157059283 |
| Molecular Formula | C180H100N12O12 |
| Molecular Weight | 2622.85 g/mol |
| Exact Mass | 2620.76 |
| IUPAC Name | 2-dibenzofuran-1-yl-4-dibenzofuran-2-yl-6-(4-dibenzofuran-1-ylphenyl)-1,3,5-triazine;2-dibenzofuran-1-yl-4-dibenzofuran-3-yl-6-(4-dibenzofuran-1-ylphenyl)-1,3,5-triazine;2-dibenzofuran-1-yl-4-dibenzofuran-4-yl-6-(3-dibenzofuran-1-ylphenyl)-1,3,5-triazine;2,4-di(dibenzofuran-1-yl)-6-(4-dibenzofuran-1-ylphenyl)-1,3,5-triazine |
| SMILES | c1cc(-c2nc(-c3cccc4c3oc3ccccc34)nc(-c3cccc4oc5ccccc5c34)n2)cc(-c2cccc3oc4ccccc4c23)c1.c1ccc2c(c1)oc1cc(-c3nc(-c4ccc(-c5cccc6oc7ccccc7c56)cc4)nc(-c4cccc5oc6ccccc6c45)n3)ccc12.c1ccc2c(c1)oc1ccc(-c3nc(-c4ccc(-c5cccc6oc7ccccc7c56)cc4)nc(-c4cccc5oc6ccccc6c45)n3)cc12.c1ccc2c(c1)oc1cccc(-c3ccc(-c4nc(-c5cccc6oc7ccccc7c56)nc(-c5cccc6oc7ccccc7c56)n4)cc3)c12 |
| InChI | InChI=1S/4C45H25N3O3/c1-4-20-35-29(13-1)30-17-8-19-34(42(30)51-35)45-47-43(46-44(48-45)33-18-10-24-39-41(33)32-15-3-6-22-37(32)50-39)27-12-7-11-26(25-27)28-16-9-23-38-40(28)31-14-2-5-21-36(31)49-38;1-4-16-34-29(10-1)40-28(13-7-19-37(40)49-34)26-22-24-27(25-23-26)43-46-44(32-14-8-20-38-41(32)30-11-2-5-17-35(30)50-38)48-45(47-43)33-15-9-21-39-42(33)31-12-3-6-18-36(31)51-39;1-4-14-35-30(9-1)31-24-23-28(25-40(31)51-35)44-46-43(47-45(48-44)34-13-8-18-39-42(34)33-11-3-6-16-37(33)50-39)27-21-19-26(20-22-27)29-12-7-17-38-41(29)32-10-2-5-15-36(32)49-38;1-4-14-35-30(9-1)34-25-28(23-24-38(34)49-35)44-46-43(47-45(48-44)33-13-8-18-40-42(33)32-11-3-6-16-37(32)51-40)27-21-19-26(20-22-27)29-12-7-17-39-41(29)31-10-2-5-15-36(31)50-39/h4*1-25H |
| InChIKey | ABDAPZMNYAPGQK-UHFFFAOYSA-N |
| XLogP | 48.95 |
| TPSA | 312.36 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 24 |
| Rotatable Bonds | 16 |
| Heavy Atoms | 204 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2622.85 |
| LogP ≤ 5 | 48.95 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 24 |