C242H150N18O3S — CID 159038500
3-(9-dibenzofuran-4-ylcarbazol-2-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;2-[9-(4-dibenzofuran-2-ylphenyl)carbazol-3-yl]-9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole;2-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;2-[9-(4-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole (PubChem CID 159038500) has the molecular formula C242H150N18O3S and a molecular weight of 3390.05 g/mol. Its IUPAC name is 3-(9-dibenzofuran-4-ylcarbazol-2-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;2-[9-(4-dibenzofuran-2-ylphenyl)carbazol-3-yl]-9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole;2-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;2-[9-(4-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole.
| Compound Name | 3-(9-dibenzofuran-4-ylcarbazol-2-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;2-[9-(4-dibenzofuran-2-ylphenyl)carbazol-3-yl]-9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole;2-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;2-[9-(4-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole |
|---|---|
| PubChem CID | 159038500 |
| Molecular Formula | C242H150N18O3S |
| Molecular Weight | 3390.05 g/mol |
| Exact Mass | 3387.19 |
| IUPAC Name | 3-(9-dibenzofuran-4-ylcarbazol-2-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;2-[9-(4-dibenzofuran-2-ylphenyl)carbazol-3-yl]-9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole;2-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;2-[9-(4-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole |
| SMILES | c1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccc(-c7ccc8sc9ccccc9c8c7)cc6)cc54)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccc(-c7ccc8oc9ccccc9c8c7)cc6)cc54)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccc(-c7cccc8c7oc7ccccc78)cc6)cc54)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6c7ccccc7n(-c7cccc8c7oc7ccccc78)c6c5)ccc43)n2)cc1 |
| InChI | InChI=1S/C64H40N4O.C64H40N4S.C63H39N5O.C51H31N5O/c1-3-13-42(14-4-1)56-40-57(43-15-5-2-6-16-43)66-64(65-56)44-25-32-49(33-26-44)68-58-20-10-7-17-50(58)52-34-27-47(39-61(52)68)46-28-35-60-54(37-46)51-18-8-11-21-59(51)67(60)48-30-23-41(24-31-48)45-29-36-63-55(38-45)53-19-9-12-22-62(53)69-63;1-3-13-42(14-4-1)56-40-57(66-64(65-56)44-15-5-2-6-16-44)43-25-32-49(33-26-43)68-58-20-10-7-17-50(58)52-34-27-47(39-61(52)68)46-28-35-60-54(37-46)51-18-8-11-21-59(51)67(60)48-30-23-41(24-31-48)45-29-36-63-55(38-45)53-19-9-12-22-62(53)69-63;1-3-14-41(15-4-1)61-64-62(42-16-5-2-6-17-42)66-63(65-61)43-28-34-47(35-29-43)68-55-23-10-7-18-49(55)51-36-30-45(39-58(51)68)44-31-37-57-54(38-44)50-19-8-11-24-56(50)67(57)46-32-26-40(27-33-46)48-21-13-22-53-52-20-9-12-25-59(52)69-60(48)53;1-3-14-32(15-4-1)49-52-50(33-16-5-2-6-17-33)54-51(53-49)56-43-23-11-8-19-37(43)41-30-34(27-29-44(41)56)35-26-28-38-36-18-7-10-22-42(36)55(46(38)31-35)45-24-13-21-40-39-20-9-12-25-47(39)57-48(40)45/h2*1-40H;1-39H;1-31H |
| InChIKey | JVTDKSUWMGMRJY-UHFFFAOYSA-N |
| XLogP | 63.55 |
| TPSA | 207.76 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 22 |
| Rotatable Bonds | 26 |
| Heavy Atoms | 264 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3390.05 |
| LogP ≤ 5 | 63.55 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 22 |