C208H124N12O4 — CID 161391981
2-dibenzofuran-1-yl-4-phenyl-6-[2-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazine;2-dibenzofuran-2-yl-4-phenyl-6-[4-(9,9'-spirobi[fluorene]-1'-yl)phenyl]-1,3,5-triazine;2-dibenzofuran-3-yl-4-phenyl-6-[4-(9,9'-spirobi[fluorene]-1'-yl)phenyl]-1,3,5-triazine;2-dibenzofuran-4-yl-4-phenyl-6-[4-(9,9'-spirobi[fluorene]-1'-yl)phenyl]-1,3,5-triazine (PubChem CID 161391981) has the molecular formula C208H124N12O4 and a molecular weight of 2855.36 g/mol. Its IUPAC name is 2-dibenzofuran-1-yl-4-phenyl-6-[2-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazine;2-dibenzofuran-2-yl-4-phenyl-6-[4-(9,9'-spirobi[fluorene]-1'-yl)phenyl]-1,3,5-triazine;2-dibenzofuran-3-yl-4-phenyl-6-[4-(9,9'-spirobi[fluorene]-1'-yl)phenyl]-1,3,5-triazine;2-dibenzofuran-4-yl-4-phenyl-6-[4-(9,9'-spirobi[fluorene]-1'-yl)phenyl]-1,3,5-triazine.
| Compound Name | 2-dibenzofuran-1-yl-4-phenyl-6-[2-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazine;2-dibenzofuran-2-yl-4-phenyl-6-[4-(9,9'-spirobi[fluorene]-1'-yl)phenyl]-1,3,5-triazine;2-dibenzofuran-3-yl-4-phenyl-6-[4-(9,9'-spirobi[fluorene]-1'-yl)phenyl]-1,3,5-triazine;2-dibenzofuran-4-yl-4-phenyl-6-[4-(9,9'-spirobi[fluorene]-1'-yl)phenyl]-1,3,5-triazine |
|---|---|
| PubChem CID | 161391981 |
| Molecular Formula | C208H124N12O4 |
| Molecular Weight | 2855.36 g/mol |
| Exact Mass | 2852.99 |
| IUPAC Name | 2-dibenzofuran-1-yl-4-phenyl-6-[2-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazine;2-dibenzofuran-2-yl-4-phenyl-6-[4-(9,9'-spirobi[fluorene]-1'-yl)phenyl]-1,3,5-triazine;2-dibenzofuran-3-yl-4-phenyl-6-[4-(9,9'-spirobi[fluorene]-1'-yl)phenyl]-1,3,5-triazine;2-dibenzofuran-4-yl-4-phenyl-6-[4-(9,9'-spirobi[fluorene]-1'-yl)phenyl]-1,3,5-triazine |
| SMILES | c1ccc(-c2nc(-c3ccc(-c4cccc5c4C4(c6ccccc6-c6ccccc64)c4ccccc4-5)cc3)nc(-c3ccc4c(c3)oc3ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4cccc5c4C4(c6ccccc6-c6ccccc64)c4ccccc4-5)cc3)nc(-c3ccc4oc5ccccc5c4c3)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4cccc5c4C4(c6ccccc6-c6ccccc64)c4ccccc4-5)cc3)nc(-c3cccc4c3oc3ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccccc3-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)nc(-c3cccc4oc5ccccc5c34)n2)cc1 |
| InChI | InChI=1S/4C52H31N3O/c1-2-14-33(15-3-1)49-53-50(55-51(54-49)42-23-13-22-41-39-19-7-11-27-46(39)56-48(41)42)34-30-28-32(29-31-34)35-20-12-21-40-38-18-6-10-26-45(38)52(47(35)40)43-24-8-4-16-36(43)37-17-5-9-25-44(37)52;1-2-13-33(14-3-1)49-53-50(55-51(54-49)35-29-30-41-40-18-7-11-24-46(40)56-47(41)31-35)34-27-25-32(26-28-34)36-19-12-20-42-39-17-6-10-23-45(39)52(48(36)42)43-21-8-4-15-37(43)38-16-5-9-22-44(38)52;1-2-13-33(14-3-1)49-53-50(55-51(54-49)35-29-30-47-42(31-35)40-18-7-11-24-46(40)56-47)34-27-25-32(26-28-34)36-19-12-20-41-39-17-6-10-23-45(39)52(48(36)41)43-21-8-4-15-37(43)38-16-5-9-22-44(38)52;1-2-15-32(16-3-1)49-53-50(55-51(54-49)41-23-14-28-47-48(41)40-22-9-13-27-46(40)56-47)39-21-5-4-17-34(39)33-29-30-38-37-20-8-12-26-44(37)52(45(38)31-33)42-24-10-6-18-35(42)36-19-7-11-25-43(36)52/h4*1-31H |
| InChIKey | VTCJQPAVTRJERB-UHFFFAOYSA-N |
| XLogP | 51.13 |
| TPSA | 207.24 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 16 |
| Rotatable Bonds | 16 |
| Heavy Atoms | 224 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2855.36 |
| LogP ≤ 5 | 51.13 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 16 |