C190H116N14O4 — CID 159711280
3-[8-[9-(6-dibenzofuran-1-yl-2-phenylpyrimidin-4-yl)carbazol-3-yl]dibenzofuran-1-yl]-9-phenylcarbazole;3-[8-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]dibenzofuran-1-yl]-9-phenylcarbazole;3-[8-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]dibenzofuran-1-yl]-9-phenylcarbazole (PubChem CID 159711280) has the molecular formula C190H116N14O4 and a molecular weight of 2659.11 g/mol. Its IUPAC name is 3-[8-[9-(6-dibenzofuran-1-yl-2-phenylpyrimidin-4-yl)carbazol-3-yl]dibenzofuran-1-yl]-9-phenylcarbazole;3-[8-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]dibenzofuran-1-yl]-9-phenylcarbazole;3-[8-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]dibenzofuran-1-yl]-9-phenylcarbazole.
| Compound Name | 3-[8-[9-(6-dibenzofuran-1-yl-2-phenylpyrimidin-4-yl)carbazol-3-yl]dibenzofuran-1-yl]-9-phenylcarbazole;3-[8-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]dibenzofuran-1-yl]-9-phenylcarbazole;3-[8-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]dibenzofuran-1-yl]-9-phenylcarbazole |
|---|---|
| PubChem CID | 159711280 |
| Molecular Formula | C190H116N14O4 |
| Molecular Weight | 2659.11 g/mol |
| Exact Mass | 2656.93 |
| IUPAC Name | 3-[8-[9-(6-dibenzofuran-1-yl-2-phenylpyrimidin-4-yl)carbazol-3-yl]dibenzofuran-1-yl]-9-phenylcarbazole;3-[8-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]dibenzofuran-1-yl]-9-phenylcarbazole;3-[8-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]dibenzofuran-1-yl]-9-phenylcarbazole |
| SMILES | c1ccc(-c2nc(-c3cccc4oc5ccccc5c34)cc(-n3c4ccccc4c4cc(-c5ccc6oc7cccc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)c7c6c5)ccc43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7oc8cccc(-c9ccc%10c(c9)c9ccccc9n%10-c9ccccc9)c8c7c6)ccc54)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5cc(-c6ccc7oc8cccc(-c9ccc%10c(c9)c9ccccc9n%10-c9ccccc9)c8c7c6)ccc54)c3)n2)cc1 |
| InChI | InChI=1S/C64H38N4O2.2C63H39N5O/c1-3-15-39(16-4-1)64-65-52(47-23-14-28-60-63(47)48-21-9-12-26-57(48)69-60)38-61(66-64)68-54-25-11-8-20-46(54)49-35-40(29-32-56(49)68)41-31-34-58-51(36-41)62-44(22-13-27-59(62)70-58)42-30-33-55-50(37-42)45-19-7-10-24-53(45)67(55)43-17-5-2-6-18-43;1-4-15-40(16-5-1)61-64-62(41-17-6-2-7-18-41)66-63(65-61)42-27-32-47(33-28-42)68-55-25-13-10-21-49(55)51-37-43(29-34-56(51)68)44-31-36-58-53(38-44)60-48(23-14-26-59(60)69-58)45-30-35-57-52(39-45)50-22-11-12-24-54(50)67(57)46-19-8-3-9-20-46;1-4-16-40(17-5-1)61-64-62(41-18-6-2-7-19-41)66-63(65-61)45-20-14-23-47(36-45)68-55-28-13-11-24-49(55)51-37-42(30-33-57(51)68)43-32-35-58-53(38-43)60-48(26-15-29-59(60)69-58)44-31-34-56-52(39-44)50-25-10-12-27-54(50)67(56)46-21-8-3-9-22-46/h1-38H;2*1-39H |
| InChIKey | MYWGZVSTXSULKT-UHFFFAOYSA-N |
| XLogP | 49.74 |
| TPSA | 185.26 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 18 |
| Rotatable Bonds | 20 |
| Heavy Atoms | 208 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2659.11 |
| LogP ≤ 5 | 49.74 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 18 |