C204H128N16O2S2 — CID 163586806
6-dibenzothiophen-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-(4-phenylphenyl)carbazole;2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-6-(6-phenyldibenzofuran-2-yl)carbazole;2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-6-(6-phenyldibenzofuran-4-yl)carbazole;2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-6-(6-phenyldibenzothiophen-2-yl)carbazole (PubChem CID 163586806) has the molecular formula C204H128N16O2S2 and a molecular weight of 2899.51 g/mol. Its IUPAC name is 6-dibenzothiophen-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-(4-phenylphenyl)carbazole;2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-6-(6-phenyldibenzofuran-2-yl)carbazole;2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-6-(6-phenyldibenzofuran-4-yl)carbazole;2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-6-(6-phenyldibenzothiophen-2-yl)carbazole.
| Compound Name | 6-dibenzothiophen-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-(4-phenylphenyl)carbazole;2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-6-(6-phenyldibenzofuran-2-yl)carbazole;2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-6-(6-phenyldibenzofuran-4-yl)carbazole;2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-6-(6-phenyldibenzothiophen-2-yl)carbazole |
|---|---|
| PubChem CID | 163586806 |
| Molecular Formula | C204H128N16O2S2 |
| Molecular Weight | 2899.51 g/mol |
| Exact Mass | 2896.98 |
| IUPAC Name | 6-dibenzothiophen-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-(4-phenylphenyl)carbazole;2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-6-(6-phenyldibenzofuran-2-yl)carbazole;2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-6-(6-phenyldibenzofuran-4-yl)carbazole;2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-6-(6-phenyldibenzothiophen-2-yl)carbazole |
| SMILES | c1ccc(-c2ccc(-n3c4ccc(-c5cccc6c5sc5ccccc56)cc4c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc43)cc2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c5cc(-c6ccc7oc8c(-c9ccccc9)cccc8c7c6)ccc5n(-c5ccccc5)c4c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c5cc(-c6ccc7sc8c(-c9ccccc9)cccc8c7c6)ccc5n(-c5ccccc5)c4c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c5cc(-c6cccc7c6oc6c(-c8ccccc8)cccc67)ccc5n(-c5ccccc5)c4c3)n2)cc1 |
| InChI | InChI=1S/2C51H32N4O.2C51H32N4S/c1-5-15-33(16-6-1)39-23-13-25-42-43-26-14-24-40(48(43)56-47(39)42)36-28-30-45-44(31-36)41-29-27-37(32-46(41)55(45)38-21-11-4-12-22-38)51-53-49(34-17-7-2-8-18-34)52-50(54-51)35-19-9-3-10-20-35;2*1-5-14-33(15-6-1)40-22-13-23-42-44-31-37(26-29-47(44)56-48(40)42)36-25-28-45-43(30-36)41-27-24-38(32-46(41)55(45)39-20-11-4-12-21-39)51-53-49(34-16-7-2-8-17-34)52-50(54-51)35-18-9-3-10-19-35;1-4-13-33(14-5-1)34-23-27-39(28-24-34)55-45-30-26-37(40-20-12-21-43-42-19-10-11-22-47(42)56-48(40)43)31-44(45)41-29-25-38(32-46(41)55)51-53-49(35-15-6-2-7-16-35)52-50(54-51)36-17-8-3-9-18-36/h4*1-32H |
| InChIKey | GMDVINQBVXXCLJ-UHFFFAOYSA-N |
| XLogP | 53.75 |
| TPSA | 200.68 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 20 |
| Rotatable Bonds | 24 |
| Heavy Atoms | 224 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2899.51 |
| LogP ≤ 5 | 53.75 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 20 |