C171H102N12O6 — CID 157292587
1-[7-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-6,9-diphenylcarbazole;1-[8-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-6,9-diphenylcarbazole;2-[7-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-6,9-diphenylcarbazole (PubChem CID 157292587) has the molecular formula C171H102N12O6 and a molecular weight of 2420.77 g/mol. Its IUPAC name is 1-[7-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-6,9-diphenylcarbazole;1-[8-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-6,9-diphenylcarbazole;2-[7-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-6,9-diphenylcarbazole.
| Compound Name | 1-[7-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-6,9-diphenylcarbazole;1-[8-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-6,9-diphenylcarbazole;2-[7-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-6,9-diphenylcarbazole |
|---|---|
| PubChem CID | 157292587 |
| Molecular Formula | C171H102N12O6 |
| Molecular Weight | 2420.77 g/mol |
| Exact Mass | 2418.80 |
| IUPAC Name | 1-[7-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-6,9-diphenylcarbazole;1-[8-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-6,9-diphenylcarbazole;2-[7-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-6,9-diphenylcarbazole |
| SMILES | c1ccc(-c2ccc3c(c2)c2ccc(-c4cccc5c4oc4cc(-c6nc(-c7ccccc7)nc(-c7ccc8oc9ccccc9c8c7)n6)ccc45)cc2n3-c2ccccc2)cc1.c1ccc(-c2ccc3c(c2)c2cccc(-c4ccc5c(c4)oc4cc(-c6nc(-c7ccccc7)nc(-c7ccc8c(c7)oc7ccccc78)n6)ccc45)c2n3-c2ccccc2)cc1.c1ccc(-c2ccc3c(c2)c2cccc(-c4ccc5oc6ccc(-c7nc(-c8ccccc8)nc(-c8ccc9c(c8)oc8ccccc89)n7)cc6c5c4)c2n3-c2ccccc2)cc1 |
| InChI | InChI=1S/3C57H34N4O2/c1-4-13-35(14-5-1)37-26-30-49-48(31-37)47-21-12-20-42(54(47)61(49)41-17-8-3-9-18-41)38-23-27-45-46-29-25-40(34-53(46)63-51(45)32-38)57-59-55(36-15-6-2-7-16-36)58-56(60-57)39-24-28-44-43-19-10-11-22-50(43)62-52(44)33-39;1-4-13-35(14-5-1)37-25-29-49-47(31-37)43-27-23-38(33-50(43)61(49)41-17-8-3-9-18-41)42-20-12-21-46-45-28-24-40(34-53(45)63-54(42)46)57-59-55(36-15-6-2-7-16-36)58-56(60-57)39-26-30-52-48(32-39)44-19-10-11-22-51(44)62-52;1-4-13-35(14-5-1)37-24-28-49-46(31-37)45-21-12-20-42(54(45)61(49)41-17-8-3-9-18-41)38-25-29-51-47(32-38)48-33-39(26-30-52(48)62-51)56-58-55(36-15-6-2-7-16-36)59-57(60-56)40-23-27-44-43-19-10-11-22-50(43)63-53(44)34-40/h3*1-34H |
| InChIKey | BAZBKUQVFWQAIC-UHFFFAOYSA-N |
| XLogP | 45.31 |
| TPSA | 209.64 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 18 |
| Rotatable Bonds | 18 |
| Heavy Atoms | 189 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2420.77 |
| LogP ≤ 5 | 45.31 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 18 |