C201H124N16O5S — CID 167558053
3-[1-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-9-phenylcarbazole;3-[1-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-9-phenylcarbazole;3-[1-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-9-phenylcarbazole;4-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-9-phenylcarbazole (PubChem CID 167558053) has the molecular formula C201H124N16O5S and a molecular weight of 2875.38 g/mol. Its IUPAC name is 3-[1-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-9-phenylcarbazole;3-[1-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-9-phenylcarbazole;3-[1-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-9-phenylcarbazole;4-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-9-phenylcarbazole.
| Compound Name | 3-[1-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-9-phenylcarbazole;3-[1-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-9-phenylcarbazole;3-[1-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-9-phenylcarbazole;4-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-9-phenylcarbazole |
|---|---|
| PubChem CID | 167558053 |
| Molecular Formula | C201H124N16O5S |
| Molecular Weight | 2875.38 g/mol |
| Exact Mass | 2872.97 |
| IUPAC Name | 3-[1-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-9-phenylcarbazole;3-[1-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-9-phenylcarbazole;3-[1-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-9-phenylcarbazole;4-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-9-phenylcarbazole |
| SMILES | CC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c5oc6ccccc6c45)n3)cc21.c1ccc(-c2nc(-c3ccc4c(c3)oc3ccccc34)nc(-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c4oc5ccccc5c34)n2)cc1.c1ccc(-c2nc(-c3ccc4c(c3)sc3ccccc34)nc(-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c4oc5ccccc5c34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc5c4c4ccccc4n5-c4ccccc4)c4oc5ccccc5c34)n2)cc1 |
| InChI | InChI=1S/C54H36N4O.C51H30N4O2.C51H30N4OS.C45H28N4O/c1-54(2)44-22-12-9-19-38(44)39-27-25-35(32-45(39)54)52-55-51(33-15-5-3-6-16-33)56-53(57-52)42-29-28-37(50-49(42)41-21-11-14-24-48(41)59-50)34-26-30-47-43(31-34)40-20-10-13-23-46(40)58(47)36-17-7-4-8-18-36;1-3-13-31(14-4-1)49-52-50(33-23-25-38-37-18-8-11-21-44(37)56-46(38)30-33)54-51(53-49)40-27-26-35(48-47(40)39-19-9-12-22-45(39)57-48)32-24-28-43-41(29-32)36-17-7-10-20-42(36)55(43)34-15-5-2-6-16-34;1-3-13-31(14-4-1)49-52-50(33-23-25-38-37-18-9-12-22-45(37)57-46(38)30-33)54-51(53-49)40-27-26-35(48-47(40)39-19-8-11-21-44(39)56-48)32-24-28-43-41(29-32)36-17-7-10-20-42(36)55(43)34-15-5-2-6-16-34;1-4-15-29(16-5-1)43-46-44(30-17-6-2-7-18-30)48-45(47-43)36-28-27-33(42-41(36)35-22-11-13-26-39(35)50-42)32-23-14-25-38-40(32)34-21-10-12-24-37(34)49(38)31-19-8-3-9-20-31/h3-32H,1-2H3;2*1-30H;1-28H |
| InChIKey | DGUPUSRUQPPGLE-UHFFFAOYSA-N |
| XLogP | 52.72 |
| TPSA | 240.10 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 22 |
| Rotatable Bonds | 20 |
| Heavy Atoms | 223 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2875.38 |
| LogP ≤ 5 | 52.72 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 22 |