C204H120N16OS7 — CID 159076977
3-[7-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-9-phenylcarbazole;3-[7-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-9-phenylcarbazole;3-[7-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-9-phenylcarbazole;3-[7-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-9-phenylcarbazole (PubChem CID 159076977) has the molecular formula C204H120N16OS7 and a molecular weight of 3035.78 g/mol. Its IUPAC name is 3-[7-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-9-phenylcarbazole;3-[7-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-9-phenylcarbazole;3-[7-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-9-phenylcarbazole;3-[7-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-9-phenylcarbazole.
| Compound Name | 3-[7-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-9-phenylcarbazole;3-[7-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-9-phenylcarbazole;3-[7-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-9-phenylcarbazole;3-[7-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-9-phenylcarbazole |
|---|---|
| PubChem CID | 159076977 |
| Molecular Formula | C204H120N16OS7 |
| Molecular Weight | 3035.78 g/mol |
| Exact Mass | 3032.79 |
| IUPAC Name | 3-[7-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-9-phenylcarbazole;3-[7-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-9-phenylcarbazole;3-[7-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-9-phenylcarbazole;3-[7-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-9-phenylcarbazole |
| SMILES | c1ccc(-c2nc(-c3ccc4c(c3)oc3ccccc34)nc(-c3ccc4c(c3)sc3cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc34)n2)cc1.c1ccc(-c2nc(-c3ccc4c(c3)sc3c(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cccc34)nc(-c3cccc4c3sc3ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccc4c(c3)sc3ccccc34)nc(-c3ccc4c(c3)sc3ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc34)n2)cc1.c1ccc(-c2nc(-c3ccc4c(c3)sc3ccccc34)nc(-c3ccc4c(c3)sc3cccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c34)n2)cc1 |
| InChI | InChI=1S/C51H30N4OS.3C51H30N4S2/c1-3-11-31(12-4-1)49-52-50(34-20-23-39-38-16-8-10-18-45(38)56-46(39)28-34)54-51(53-49)35-21-25-41-40-24-19-33(29-47(40)57-48(41)30-35)32-22-26-44-42(27-32)37-15-7-9-17-43(37)55(44)36-13-5-2-6-14-36;1-3-13-31(14-4-1)49-52-50(54-51(53-49)41-22-12-21-39-37-18-8-10-24-45(37)56-48(39)41)33-25-27-38-40-20-11-19-35(47(40)57-46(38)30-33)32-26-28-44-42(29-32)36-17-7-9-23-43(36)55(44)34-15-5-2-6-16-34;1-3-12-31(13-4-1)49-52-50(33-22-25-39-38-17-8-10-20-44(38)56-46(39)29-33)54-51(53-49)34-23-26-40-47(30-34)57-45-21-11-18-36(48(40)45)32-24-27-43-41(28-32)37-16-7-9-19-42(37)55(43)35-14-5-2-6-15-35;1-3-11-31(12-4-1)49-52-50(34-19-23-39-38-16-8-10-18-45(38)56-47(39)29-34)54-51(53-49)35-20-24-40-42-28-33(22-26-46(42)57-48(40)30-35)32-21-25-44-41(27-32)37-15-7-9-17-43(37)55(44)36-13-5-2-6-14-36/h4*1-30H |
| InChIKey | KAJIQTWSUFYBEQ-UHFFFAOYSA-N |
| XLogP | 57.02 |
| TPSA | 187.54 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 24 |
| Rotatable Bonds | 20 |
| Heavy Atoms | 228 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3035.78 |
| LogP ≤ 5 | 57.02 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 24 |