C204H120N16O4S4 — CID 163650685
1-[4-(8-dibenzothiophen-2-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole;2-[4-(8-dibenzothiophen-2-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole;3-[4-(8-dibenzothiophen-2-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole;4-[4-(8-dibenzothiophen-2-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole (PubChem CID 163650685) has the molecular formula C204H120N16O4S4 and a molecular weight of 2987.58 g/mol. Its IUPAC name is 1-[4-(8-dibenzothiophen-2-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole;2-[4-(8-dibenzothiophen-2-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole;3-[4-(8-dibenzothiophen-2-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole;4-[4-(8-dibenzothiophen-2-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole.
| Compound Name | 1-[4-(8-dibenzothiophen-2-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole;2-[4-(8-dibenzothiophen-2-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole;3-[4-(8-dibenzothiophen-2-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole;4-[4-(8-dibenzothiophen-2-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole |
|---|---|
| PubChem CID | 163650685 |
| Molecular Formula | C204H120N16O4S4 |
| Molecular Weight | 2987.58 g/mol |
| Exact Mass | 2984.86 |
| IUPAC Name | 1-[4-(8-dibenzothiophen-2-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole;2-[4-(8-dibenzothiophen-2-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole;3-[4-(8-dibenzothiophen-2-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole;4-[4-(8-dibenzothiophen-2-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole |
| SMILES | c1ccc(-c2nc(-c3ccc4c(c3)oc3ccc(-c5ccc6sc7ccccc7c6c5)cc34)nc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3ccc4c(c3)oc3ccc(-c5ccc6sc7ccccc7c6c5)cc34)nc(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)n2)cc1.c1ccc(-c2nc(-c3ccc4c(c3)oc3ccc(-c5ccc6sc7ccccc7c6c5)cc34)nc(-c3cccc4c3c3ccccc3n4-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3ccc4c(c3)oc3ccc(-c5ccc6sc7ccccc7c6c5)cc34)nc(-c3cccc4c5ccccc5n(-c5ccccc5)c34)n2)cc1 |
| InChI | InChI=1S/4C51H30N4OS/c1-3-12-31(13-4-1)49-52-50(54-51(53-49)39-18-11-20-43-48(39)38-17-7-9-19-42(38)55(43)35-14-5-2-6-15-35)34-22-25-36-40-28-32(23-26-44(40)56-45(36)30-34)33-24-27-47-41(29-33)37-16-8-10-21-46(37)57-47;1-3-12-31(13-4-1)49-52-50(54-51(53-49)40-19-11-18-39-36-16-7-9-20-43(36)55(48(39)40)35-14-5-2-6-15-35)34-22-25-37-41-28-32(23-26-44(41)56-45(37)30-34)33-24-27-47-42(29-33)38-17-8-10-21-46(38)57-47;1-3-11-31(12-4-1)49-52-50(34-20-24-44-40(29-34)37-15-7-9-17-43(37)55(44)36-13-5-2-6-14-36)54-51(53-49)35-19-23-38-41-27-32(21-25-45(41)56-46(38)30-35)33-22-26-48-42(28-33)39-16-8-10-18-47(39)57-48;1-3-11-31(12-4-1)49-52-50(34-19-23-38-37-15-7-9-17-43(37)55(44(38)29-34)36-13-5-2-6-14-36)54-51(53-49)35-20-24-39-41-27-32(21-25-45(41)56-46(39)30-35)33-22-26-48-42(28-33)40-16-8-10-18-47(40)57-48/h4*1-30H |
| InChIKey | ILZGZFPCMYDWCV-UHFFFAOYSA-N |
| XLogP | 55.62 |
| TPSA | 226.96 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 24 |
| Rotatable Bonds | 20 |
| Heavy Atoms | 228 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2987.58 |
| LogP ≤ 5 | 55.62 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 24 |