C174H108N12O4 — CID 165029905
2-dibenzofuran-2-yl-4-(9,9-dimethylfluoren-3-yl)-6-phenyl-1,3,5-triazine;2-dibenzofuran-2-yl-4-(9,9-diphenylfluoren-3-yl)-6-phenyl-1,3,5-triazine;2-dibenzofuran-2-yl-4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;2-dibenzofuran-2-yl-4-phenyl-6-(9,9'-spirobi[fluorene]-3-yl)-1,3,5-triazine (PubChem CID 165029905) has the molecular formula C174H108N12O4 and a molecular weight of 2430.86 g/mol. Its IUPAC name is 2-dibenzofuran-2-yl-4-(9,9-dimethylfluoren-3-yl)-6-phenyl-1,3,5-triazine;2-dibenzofuran-2-yl-4-(9,9-diphenylfluoren-3-yl)-6-phenyl-1,3,5-triazine;2-dibenzofuran-2-yl-4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;2-dibenzofuran-2-yl-4-phenyl-6-(9,9'-spirobi[fluorene]-3-yl)-1,3,5-triazine.
| Compound Name | 2-dibenzofuran-2-yl-4-(9,9-dimethylfluoren-3-yl)-6-phenyl-1,3,5-triazine;2-dibenzofuran-2-yl-4-(9,9-diphenylfluoren-3-yl)-6-phenyl-1,3,5-triazine;2-dibenzofuran-2-yl-4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;2-dibenzofuran-2-yl-4-phenyl-6-(9,9'-spirobi[fluorene]-3-yl)-1,3,5-triazine |
|---|---|
| PubChem CID | 165029905 |
| Molecular Formula | C174H108N12O4 |
| Molecular Weight | 2430.86 g/mol |
| Exact Mass | 2428.86 |
| IUPAC Name | 2-dibenzofuran-2-yl-4-(9,9-dimethylfluoren-3-yl)-6-phenyl-1,3,5-triazine;2-dibenzofuran-2-yl-4-(9,9-diphenylfluoren-3-yl)-6-phenyl-1,3,5-triazine;2-dibenzofuran-2-yl-4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;2-dibenzofuran-2-yl-4-phenyl-6-(9,9'-spirobi[fluorene]-3-yl)-1,3,5-triazine |
| SMILES | CC1(C)c2ccccc2-c2cc(-c3nc(-c4ccccc4)nc(-c4ccc5oc6ccccc6c5c4)n3)ccc21.c1ccc(-c2nc(-c3ccc4c(c3)-c3ccccc3C4(c3ccccc3)c3ccccc3)nc(-c3ccc4oc5ccccc5c4c3)n2)cc1.c1ccc(-c2nc(-c3ccc4c(c3)-c3ccccc3C43c4ccccc4-c4ccccc43)nc(-c3ccc4oc5ccccc5c4c3)n2)cc1.c1ccc(-c2nc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)nc(-c3ccc4oc5ccccc5c4c3)n2)cc1 |
| InChI | InChI=1S/2C46H27N3O.C46H29N3O.C36H25N3O/c1-2-12-28(13-3-1)43-47-44(29-23-25-42-36(26-29)35-17-7-11-21-41(35)50-42)49-45(48-43)30-22-24-34-33-16-6-10-20-39(33)46(40(34)27-30)37-18-8-4-14-31(37)32-15-5-9-19-38(32)46;1-2-12-28(13-3-1)43-47-44(49-45(48-43)30-23-25-42-36(27-30)34-17-7-11-21-41(34)50-42)29-22-24-40-35(26-29)33-16-6-10-20-39(33)46(40)37-18-8-4-14-31(37)32-15-5-9-19-38(32)46;1-4-14-30(15-5-1)43-47-44(49-45(48-43)32-25-27-42-38(29-32)36-21-11-13-23-41(36)50-42)31-24-26-40-37(28-31)35-20-10-12-22-39(35)46(40,33-16-6-2-7-17-33)34-18-8-3-9-19-34;1-36(2)29-14-8-6-12-25(29)27-20-23(16-18-30(27)36)34-37-33(22-10-4-3-5-11-22)38-35(39-34)24-17-19-32-28(21-24)26-13-7-9-15-31(26)40-32/h2*1-27H;1-29H;3-21H,1-2H3 |
| InChIKey | MMKMFMSWWPBBQS-UHFFFAOYSA-N |
| XLogP | 42.44 |
| TPSA | 207.24 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 16 |
| Rotatable Bonds | 14 |
| Heavy Atoms | 190 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2430.86 |
| LogP ≤ 5 | 42.44 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 16 |