C159H98N16OS — CID 159267968
3-carbazol-9-yl-9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]carbazole;3-carbazol-9-yl-9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]carbazole;3,6-di(carbazol-9-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole (PubChem CID 159267968) has the molecular formula C159H98N16OS and a molecular weight of 2280.71 g/mol. Its IUPAC name is 3-carbazol-9-yl-9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]carbazole;3-carbazol-9-yl-9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]carbazole;3,6-di(carbazol-9-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole.
| Compound Name | 3-carbazol-9-yl-9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]carbazole;3-carbazol-9-yl-9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]carbazole;3,6-di(carbazol-9-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole |
|---|---|
| PubChem CID | 159267968 |
| Molecular Formula | C159H98N16OS |
| Molecular Weight | 2280.71 g/mol |
| Exact Mass | 2278.78 |
| IUPAC Name | 3-carbazol-9-yl-9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]carbazole;3-carbazol-9-yl-9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]carbazole;3,6-di(carbazol-9-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole |
| SMILES | c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccc(-n6c7ccccc7c7ccccc76)cc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4oc5ccc(-n6c7ccccc7c7cc(-n8c9ccccc9c9ccccc98)ccc76)cc5c4c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4sc5ccc(-n6c7ccccc7c7cc(-n8c9ccccc9c9ccccc98)ccc76)cc5c4c3)n2)cc1 |
| InChI | InChI=1S/C57H36N6.C51H31N5O.C51H31N5S/c1-3-15-37(16-4-1)55-58-56(38-17-5-2-6-18-38)60-57(59-55)39-27-29-40(30-28-39)61-53-33-31-41(62-49-23-11-7-19-43(49)44-20-8-12-24-50(44)62)35-47(53)48-36-42(32-34-54(48)61)63-51-25-13-9-21-45(51)46-22-10-14-26-52(46)63;2*1-3-13-32(14-4-1)49-52-50(33-15-5-2-6-16-33)54-51(53-49)34-23-27-47-41(29-34)42-31-36(25-28-48(42)57-47)56-45-22-12-9-19-39(45)40-30-35(24-26-46(40)56)55-43-20-10-7-17-37(43)38-18-8-11-21-44(38)55/h1-36H;2*1-31H |
| InChIKey | KXIOVCNKWPJHNI-UHFFFAOYSA-N |
| XLogP | 40.56 |
| TPSA | 163.66 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 18 |
| Rotatable Bonds | 16 |
| Heavy Atoms | 177 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2280.71 |
| LogP ≤ 5 | 40.56 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 18 |