C184H121N17O — CID 161332282
3-dibenzofuran-4-yl-9-(4,6-diphenylpyrimidin-2-yl)carbazole;3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-6,9-diphenylcarbazole;3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole (PubChem CID 161332282) has the molecular formula C184H121N17O and a molecular weight of 2586.11 g/mol. Its IUPAC name is 3-dibenzofuran-4-yl-9-(4,6-diphenylpyrimidin-2-yl)carbazole;3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-6,9-diphenylcarbazole;3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole.
| Compound Name | 3-dibenzofuran-4-yl-9-(4,6-diphenylpyrimidin-2-yl)carbazole;3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-6,9-diphenylcarbazole;3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole |
|---|---|
| PubChem CID | 161332282 |
| Molecular Formula | C184H121N17O |
| Molecular Weight | 2586.11 g/mol |
| Exact Mass | 2583.99 |
| IUPAC Name | 3-dibenzofuran-4-yl-9-(4,6-diphenylpyrimidin-2-yl)carbazole;3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-6,9-diphenylcarbazole;3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole |
| SMILES | CC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)c3cc21.c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5cccc6c5oc5ccccc56)ccc43)n2)cc1.c1ccc(-c2ccc3c(c2)c2cc(-c4ccc5c(c4)c4ccccc4n5-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc2n3-c2ccccc2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)cc3)n2)cc1 |
| InChI | InChI=1S/2C51H33N5.C42H30N4.C40H25N3O/c1-5-15-34(16-6-1)37-25-28-46-43(31-37)44-33-39(26-29-47(44)55(46)40-21-11-4-12-22-40)38-27-30-48-42(32-38)41-23-13-14-24-45(41)56(48)51-53-49(35-17-7-2-8-18-35)52-50(54-51)36-19-9-3-10-20-36;1-4-14-34(15-5-1)49-52-50(35-16-6-2-7-17-35)54-51(53-49)36-24-28-40(29-25-36)56-46-23-13-11-21-42(46)44-33-38(27-31-48(44)56)37-26-30-47-43(32-37)41-20-10-12-22-45(41)55(47)39-18-8-3-9-19-39;1-42(2)35-19-11-9-17-31(35)33-25-34-32-18-10-12-20-37(32)46(38(34)26-36(33)42)30-23-21-29(22-24-30)41-44-39(27-13-5-3-6-14-27)43-40(45-41)28-15-7-4-8-16-28;1-3-12-26(13-4-1)34-25-35(27-14-5-2-6-15-27)42-40(41-34)43-36-20-9-7-16-30(36)33-24-28(22-23-37(33)43)29-18-11-19-32-31-17-8-10-21-38(31)44-39(29)32/h2*1-33H;3-26H,1-2H3;1-25H |
| InChIKey | VLORUXXBTGDRJQ-UHFFFAOYSA-N |
| XLogP | 46.22 |
| TPSA | 184.51 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 18 |
| Rotatable Bonds | 20 |
| Heavy Atoms | 202 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2586.11 |
| LogP ≤ 5 | 46.22 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 18 |