C180H104N16O8 — CID 159381403
9-[4-(7-dibenzofuran-1-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole;9-[4-(7-dibenzofuran-2-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole;9-[4-(7-dibenzofuran-3-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole;9-[4-(7-dibenzofuran-4-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole (PubChem CID 159381403) has the molecular formula C180H104N16O8 and a molecular weight of 2618.92 g/mol. Its IUPAC name is 9-[4-(7-dibenzofuran-1-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole;9-[4-(7-dibenzofuran-2-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole;9-[4-(7-dibenzofuran-3-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole;9-[4-(7-dibenzofuran-4-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole.
| Compound Name | 9-[4-(7-dibenzofuran-1-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole;9-[4-(7-dibenzofuran-2-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole;9-[4-(7-dibenzofuran-3-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole;9-[4-(7-dibenzofuran-4-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole |
|---|---|
| PubChem CID | 159381403 |
| Molecular Formula | C180H104N16O8 |
| Molecular Weight | 2618.92 g/mol |
| Exact Mass | 2616.82 |
| IUPAC Name | 9-[4-(7-dibenzofuran-1-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole;9-[4-(7-dibenzofuran-2-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole;9-[4-(7-dibenzofuran-3-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole;9-[4-(7-dibenzofuran-4-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole |
| SMILES | c1ccc(-c2nc(-c3cccc4oc5cc(-c6ccc7c(c6)oc6ccccc67)ccc5c34)nc(-n3c4ccccc4c4ccccc43)n2)cc1.c1ccc(-c2nc(-c3cccc4oc5cc(-c6ccc7oc8ccccc8c7c6)ccc5c34)nc(-n3c4ccccc4c4ccccc43)n2)cc1.c1ccc(-c2nc(-c3cccc4oc5cc(-c6cccc7c6oc6ccccc67)ccc5c34)nc(-n3c4ccccc4c4ccccc43)n2)cc1.c1ccc(-c2nc(-c3cccc4oc5cc(-c6cccc7oc8ccccc8c67)ccc5c34)nc(-n3c4ccccc4c4ccccc43)n2)cc1 |
| InChI | InChI=1S/4C45H26N4O2/c1-2-12-27(13-3-1)43-46-44(48-45(47-43)49-35-19-7-4-14-30(35)31-15-5-8-20-36(31)49)34-18-11-23-39-42(34)33-25-24-28(26-40(33)51-39)29-17-10-22-38-41(29)32-16-6-9-21-37(32)50-38;1-2-12-27(13-3-1)43-46-44(48-45(47-43)49-36-20-7-4-14-30(36)31-15-5-8-21-37(31)49)35-19-11-23-39-41(35)34-25-24-28(26-40(34)50-39)29-17-10-18-33-32-16-6-9-22-38(32)51-42(29)33;1-2-11-27(12-3-1)43-46-44(48-45(47-43)49-36-17-7-4-13-30(36)31-14-5-8-18-37(31)49)34-16-10-20-40-42(34)33-23-21-29(26-41(33)51-40)28-22-24-39-35(25-28)32-15-6-9-19-38(32)50-39;1-2-11-27(12-3-1)43-46-44(48-45(47-43)49-36-17-7-4-13-30(36)31-14-5-8-18-37(31)49)35-16-10-20-39-42(35)34-24-22-29(26-41(34)51-39)28-21-23-33-32-15-6-9-19-38(32)50-40(33)25-28/h4*1-26H |
| InChIKey | LKYLVJLPGMMKFQ-UHFFFAOYSA-N |
| XLogP | 47.07 |
| TPSA | 279.52 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 24 |
| Rotatable Bonds | 16 |
| Heavy Atoms | 204 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2618.92 |
| LogP ≤ 5 | 47.07 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 24 |