C204H120N16O4S4 — CID 159094409
2-[7-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-9-phenylcarbazole;2-[7-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-9-phenylcarbazole;2-[7-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-9-phenylcarbazole;2-[7-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-9-phenylcarbazole (PubChem CID 159094409) has the molecular formula C204H120N16O4S4 and a molecular weight of 2987.58 g/mol. Its IUPAC name is 2-[7-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-9-phenylcarbazole;2-[7-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-9-phenylcarbazole;2-[7-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-9-phenylcarbazole;2-[7-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-9-phenylcarbazole.
| Compound Name | 2-[7-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-9-phenylcarbazole;2-[7-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-9-phenylcarbazole;2-[7-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-9-phenylcarbazole;2-[7-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-9-phenylcarbazole |
|---|---|
| PubChem CID | 159094409 |
| Molecular Formula | C204H120N16O4S4 |
| Molecular Weight | 2987.58 g/mol |
| Exact Mass | 2984.86 |
| IUPAC Name | 2-[7-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-9-phenylcarbazole;2-[7-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-9-phenylcarbazole;2-[7-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-9-phenylcarbazole;2-[7-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-9-phenylcarbazole |
| SMILES | c1ccc(-c2nc(-c3ccc4c(c3)sc3c(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)cccc34)nc(-c3cccc4c3oc3ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccc4c(c3)sc3cc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)ccc34)nc(-c3cccc4c3oc3ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccc4c(c3)sc3ccc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)cc34)nc(-c3cccc4c3oc3ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccc4c(c3)sc3cccc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)c34)nc(-c3cccc4c3oc3ccccc34)n2)cc1 |
| InChI | InChI=1S/4C51H30N4OS/c1-3-13-31(14-4-1)49-52-50(54-51(53-49)41-21-11-20-39-38-18-8-10-23-44(38)56-48(39)41)33-26-28-40-46(30-33)57-45-24-12-19-35(47(40)45)32-25-27-37-36-17-7-9-22-42(36)55(43(37)29-32)34-15-5-2-6-16-34;1-3-13-31(14-4-1)49-52-50(54-51(53-49)42-22-12-20-40-38-18-8-10-24-45(38)56-47(40)42)33-26-28-39-41-21-11-19-35(48(41)57-46(39)30-33)32-25-27-37-36-17-7-9-23-43(36)55(44(37)29-32)34-15-5-2-6-16-34;1-3-12-31(13-4-1)49-52-50(54-51(53-49)41-19-11-18-40-38-17-8-10-21-45(38)56-48(40)41)34-23-26-39-42-28-32(24-27-46(42)57-47(39)30-34)33-22-25-37-36-16-7-9-20-43(36)55(44(37)29-33)35-14-5-2-6-15-35;1-3-12-31(13-4-1)49-52-50(54-51(53-49)42-19-11-18-41-38-17-8-10-21-45(38)56-48(41)42)34-24-27-40-39-26-23-33(29-46(39)57-47(40)30-34)32-22-25-37-36-16-7-9-20-43(36)55(44(37)28-32)35-14-5-2-6-15-35/h4*1-30H |
| InChIKey | KCMCGFTZYXDJRU-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 |