C243H152N16O2S5 — CID 161147296
2-(8-dibenzothiophen-2-yldibenzothiophen-1-yl)-4,6-diphenyl-1,3,5-triazine;3-[1-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-3-yl]-9-phenylcarbazole;3-[1-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-4-yl]-9-phenylcarbazole;3-[8-[5-(4,6-diphenylpyrimidin-2-yl)-9,9-dimethylfluoren-2-yl]dibenzofuran-2-yl]-9-phenylcarbazole;10-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole (PubChem CID 161147296) has the molecular formula C243H152N16O2S5 and a molecular weight of 3488.33 g/mol. Its IUPAC name is 2-(8-dibenzothiophen-2-yldibenzothiophen-1-yl)-4,6-diphenyl-1,3,5-triazine;3-[1-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-3-yl]-9-phenylcarbazole;3-[1-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-4-yl]-9-phenylcarbazole;3-[8-[5-(4,6-diphenylpyrimidin-2-yl)-9,9-dimethylfluoren-2-yl]dibenzofuran-2-yl]-9-phenylcarbazole;10-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole.
| Compound Name | 2-(8-dibenzothiophen-2-yldibenzothiophen-1-yl)-4,6-diphenyl-1,3,5-triazine;3-[1-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-3-yl]-9-phenylcarbazole;3-[1-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-4-yl]-9-phenylcarbazole;3-[8-[5-(4,6-diphenylpyrimidin-2-yl)-9,9-dimethylfluoren-2-yl]dibenzofuran-2-yl]-9-phenylcarbazole;10-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole |
|---|---|
| PubChem CID | 161147296 |
| Molecular Formula | C243H152N16O2S5 |
| Molecular Weight | 3488.33 g/mol |
| Exact Mass | 3485.09 |
| IUPAC Name | 2-(8-dibenzothiophen-2-yldibenzothiophen-1-yl)-4,6-diphenyl-1,3,5-triazine;3-[1-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-3-yl]-9-phenylcarbazole;3-[1-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-4-yl]-9-phenylcarbazole;3-[8-[5-(4,6-diphenylpyrimidin-2-yl)-9,9-dimethylfluoren-2-yl]dibenzofuran-2-yl]-9-phenylcarbazole;10-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole |
| SMILES | CC1(C)c2cc(-c3ccc4oc5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5c4c3)ccc2-c2c(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cccc21.c1ccc(-c2cc(-c3ccccc3)nc(-c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc4sc5ccccc5c34)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c4sc5ccccc5c34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5c(c4)c4cc6c(cc4n5-c4ccccc4)oc4ccccc46)c4sc5ccccc5c34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4sc5ccc(-c6ccc7sc8ccccc8c7c6)cc5c34)n2)cc1 |
| InChI | InChI=1S/C61H41N3O.C51H30N4OS.2C46H29N3S.C39H23N3S2/c1-61(2)51-23-14-22-47(60-62-53(38-15-6-3-7-16-38)37-54(63-60)39-17-8-4-9-18-39)59(51)46-29-25-43(36-52(46)61)42-28-32-58-50(35-42)49-34-41(27-31-57(49)65-58)40-26-30-56-48(33-40)45-21-12-13-24-55(45)64(56)44-19-10-5-11-20-44;1-4-14-31(15-5-1)49-52-50(32-16-6-2-7-17-32)54-51(53-49)38-26-25-35(48-47(38)37-21-11-13-23-46(37)57-48)33-24-27-42-39(28-33)40-29-41-36-20-10-12-22-44(36)56-45(41)30-43(40)55(42)34-18-8-3-9-19-34;1-4-14-30(15-5-1)39-29-40(31-16-6-2-7-17-31)48-46(47-39)37-26-25-34(45-44(37)36-21-11-13-23-43(36)50-45)32-24-27-42-38(28-32)35-20-10-12-22-41(35)49(42)33-18-8-3-9-19-33;1-4-14-30(15-5-1)39-29-40(31-16-6-2-7-17-31)48-46(47-39)38-27-33(28-44-45(38)36-21-11-13-23-43(36)50-44)32-24-25-42-37(26-32)35-20-10-12-22-41(35)49(42)34-18-8-3-9-19-34;1-3-10-24(11-4-1)37-40-38(25-12-5-2-6-13-25)42-39(41-37)29-15-9-17-35-36(29)31-23-27(19-21-34(31)44-35)26-18-20-33-30(22-26)28-14-7-8-16-32(28)43-33/h3-37H,1-2H3;1-30H;2*1-29H;1-23H |
| InChIKey | UOFMPRVDOPBEHL-UHFFFAOYSA-N |
| XLogP | 66.51 |
| TPSA | 200.68 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 23 |
| Rotatable Bonds | 25 |
| Heavy Atoms | 266 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3488.33 |
| LogP ≤ 5 | 66.51 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 23 |