C198H122N16O3S — CID 158954926
3-dibenzothiophen-2-yl-6-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-2-yl]-9-phenylcarbazole;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-2-yl]-9-phenylcarbazole;6-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-2-yl]-9-phenyl-2-(9-phenylcarbazol-3-yl)carbazole (PubChem CID 158954926) has the molecular formula C198H122N16O3S and a molecular weight of 2805.33 g/mol. Its IUPAC name is 3-dibenzothiophen-2-yl-6-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-2-yl]-9-phenylcarbazole;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-2-yl]-9-phenylcarbazole;6-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-2-yl]-9-phenyl-2-(9-phenylcarbazol-3-yl)carbazole.
| Compound Name | 3-dibenzothiophen-2-yl-6-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-2-yl]-9-phenylcarbazole;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-2-yl]-9-phenylcarbazole;6-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-2-yl]-9-phenyl-2-(9-phenylcarbazol-3-yl)carbazole |
|---|---|
| PubChem CID | 158954926 |
| Molecular Formula | C198H122N16O3S |
| Molecular Weight | 2805.33 g/mol |
| Exact Mass | 2802.96 |
| IUPAC Name | 3-dibenzothiophen-2-yl-6-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-2-yl]-9-phenylcarbazole;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-2-yl]-9-phenylcarbazole;6-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-2-yl]-9-phenyl-2-(9-phenylcarbazol-3-yl)carbazole |
| SMILES | c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc5oc6ccc(-c7ccc8c(c7)c7cc(-c9ccc%10sc%11ccccc%11c%10c9)ccc7n8-c7ccccc7)cc6c45)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc5oc6ccc(-c7ccc8c(c7)c7cc(-c9nc(-c%10ccccc%10)nc(-c%10ccccc%10)n9)ccc7n8-c7ccccc7)cc6c45)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc5oc6ccc(-c7ccc8c(c7)c7ccc(-c9ccc%10c(c9)c9ccccc9n%10-c9ccccc9)cc7n8-c7ccccc7)cc6c45)c3)n2)cc1 |
| InChI | InChI=1S/C69H43N5O.C66H41N7O.C63H38N4OS/c1-5-17-44(18-6-1)67-70-68(45-19-7-2-8-20-45)72-69(71-67)51-22-15-21-50(39-51)54-28-16-30-65-66(54)59-42-48(34-38-64(59)75-65)46-32-37-62-58(40-46)56-35-31-49(43-63(56)74(62)53-25-11-4-12-26-53)47-33-36-61-57(41-47)55-27-13-14-29-60(55)73(61)52-23-9-3-10-24-52;1-6-18-42(19-7-1)61-67-62(43-20-8-2-9-21-43)70-65(69-61)49-27-16-26-48(38-49)52-30-17-31-59-60(52)55-40-47(34-37-58(55)74-59)46-32-35-56-53(39-46)54-41-50(33-36-57(54)73(56)51-28-14-5-15-29-51)66-71-63(44-22-10-3-11-23-44)68-64(72-66)45-24-12-4-13-25-45;1-4-14-39(15-5-1)61-64-62(40-16-6-2-7-17-40)66-63(65-61)46-19-12-18-45(34-46)48-23-13-24-57-60(48)53-38-43(28-32-56(53)68-57)41-26-30-54-50(35-41)51-36-42(27-31-55(51)67(54)47-20-8-3-9-21-47)44-29-33-59-52(37-44)49-22-10-11-25-58(49)69-59/h1-43H;1-41H;1-38H |
| InChIKey | JLWROZKUFRTDPJ-UHFFFAOYSA-N |
| XLogP | 51.59 |
| TPSA | 213.82 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 20 |
| Rotatable Bonds | 24 |
| Heavy Atoms | 218 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2805.33 |
| LogP ≤ 5 | 51.59 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 20 |