C196H127F7N18O2 — CID 159802201
3-[3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]carbazol-9-yl]benzonitrile;3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-9-[3-(2,2,2-trifluoroethyl)phenyl]carbazole;9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-[9-(4-ethoxyphenyl)carbazol-3-yl]-6-fluorocarbazole;3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]-9-[4-(2,2,2-trifluoroethoxy)phenyl]carbazole (PubChem CID 159802201) has the molecular formula C196H127F7N18O2 and a molecular weight of 2899.28 g/mol. Its IUPAC name is 3-[3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]carbazol-9-yl]benzonitrile;3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-9-[3-(2,2,2-trifluoroethyl)phenyl]carbazole;9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-[9-(4-ethoxyphenyl)carbazol-3-yl]-6-fluorocarbazole;3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]-9-[4-(2,2,2-trifluoroethoxy)phenyl]carbazole.
| Compound Name | 3-[3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]carbazol-9-yl]benzonitrile;3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-9-[3-(2,2,2-trifluoroethyl)phenyl]carbazole;9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-[9-(4-ethoxyphenyl)carbazol-3-yl]-6-fluorocarbazole;3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]-9-[4-(2,2,2-trifluoroethoxy)phenyl]carbazole |
|---|---|
| PubChem CID | 159802201 |
| Molecular Formula | C196H127F7N18O2 |
| Molecular Weight | 2899.28 g/mol |
| Exact Mass | 2897.03 |
| IUPAC Name | 3-[3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]carbazol-9-yl]benzonitrile;3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-9-[3-(2,2,2-trifluoroethyl)phenyl]carbazole;9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-[9-(4-ethoxyphenyl)carbazol-3-yl]-6-fluorocarbazole;3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]-9-[4-(2,2,2-trifluoroethoxy)phenyl]carbazole |
| SMILES | CCOc1ccc(-n2c3ccccc3c3cc(-c4ccc5c6cc(F)ccc6n(-c6cccc(-c7cc(-c8ccccc8)nc(-c8ccccc8)n7)c6)c5c4)ccc32)cc1.FC(F)(F)COc1ccc(-n2c3ccccc3c3cc(-c4ccc5c6ccccc6n(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5c4)ccc32)cc1.FC(F)(F)Cc1cccc(-n2c3ccccc3c3cc(-c4ccc5c6ccccc6n(-c6nc(-c7ccccc7)cc(-c7ccccc7)n6)c5c4)ccc32)c1.N#Cc1cccc(-n2c3ccccc3c3cc(-c4ccc5c6ccccc6n(-c6nc(-c7ccccc7)cc(-c7ccccc7)n6)c5c4)ccc32)c1 |
| InChI | InChI=1S/C54H37FN4O.C48H31F3N4.C47H30F3N5O.C47H29N5/c1-2-60-43-25-23-41(24-26-43)58-50-19-10-9-18-44(50)46-31-37(21-28-51(46)58)38-20-27-45-47-33-40(55)22-29-52(47)59(53(45)32-38)42-17-11-16-39(30-42)49-34-48(35-12-5-3-6-13-35)56-54(57-49)36-14-7-4-8-15-36;49-48(50,51)30-31-12-11-17-36(26-31)54-43-20-9-8-19-38(43)40-27-34(23-25-45(40)54)35-22-24-39-37-18-7-10-21-44(37)55(46(39)28-35)47-52-41(32-13-3-1-4-14-32)29-42(53-47)33-15-5-2-6-16-33;48-47(49,50)29-56-35-23-21-34(22-24-35)54-40-17-9-8-16-37(40)39-27-32(20-26-42(39)54)33-19-25-38-36-15-7-10-18-41(36)55(43(38)28-33)46-52-44(30-11-3-1-4-12-30)51-45(53-46)31-13-5-2-6-14-31;48-30-31-12-11-17-36(26-31)51-43-20-9-8-19-38(43)40-27-34(23-25-45(40)51)35-22-24-39-37-18-7-10-21-44(37)52(46(39)28-35)47-49-41(32-13-3-1-4-14-32)29-42(50-47)33-15-5-2-6-16-33/h3-34H,2H2,1H3;1-29H,30H2;1-28H,29H2;1-29H |
| InChIKey | NJXXCGOKQFWSII-UHFFFAOYSA-N |
| XLogP | 50.20 |
| TPSA | 197.70 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 20 |
| Rotatable Bonds | 26 |
| Heavy Atoms | 223 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2899.28 |
| LogP ≤ 5 | 50.20 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 20 |