C172H122N18O3 — CID 161396078
2-[3-[2,8-ditert-butyl-6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,8-dimethyldibenzofuran-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 161396078) has the molecular formula C172H122N18O3 and a molecular weight of 2488.99 g/mol. Its IUPAC name is 2-[3-[2,8-ditert-butyl-6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,8-dimethyldibenzofuran-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine.
| Compound Name | 2-[3-[2,8-ditert-butyl-6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,8-dimethyldibenzofuran-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine |
|---|---|
| PubChem CID | 161396078 |
| Molecular Formula | C172H122N18O3 |
| Molecular Weight | 2488.99 g/mol |
| Exact Mass | 2486.99 |
| IUPAC Name | 2-[3-[2,8-ditert-butyl-6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,8-dimethyldibenzofuran-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine |
| SMILES | CC(C)(C)c1cc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)c2oc3c(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)cc(C(C)(C)C)cc3c2c1.Cc1cc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)c2oc3c(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)cc(C)cc3c2c1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc5c4oc4c(-c6cccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)c6)cccc45)c3)n2)cc1 |
| InChI | InChI=1S/C62H50N6O.C56H38N6O.C54H34N6O/c1-61(2,3)47-35-49(43-29-19-31-45(33-43)59-65-55(39-21-11-7-12-22-39)63-56(66-59)40-23-13-8-14-24-40)53-51(37-47)52-38-48(62(4,5)6)36-50(54(52)69-53)44-30-20-32-46(34-44)60-67-57(41-25-15-9-16-26-41)64-58(68-60)42-27-17-10-18-28-42;1-35-29-45(41-25-15-27-43(33-41)55-59-51(37-17-7-3-8-18-37)57-52(60-55)38-19-9-4-10-20-38)49-47(31-35)48-32-36(2)30-46(50(48)63-49)42-26-16-28-44(34-42)56-61-53(39-21-11-5-12-22-39)58-54(62-56)40-23-13-6-14-24-40;1-5-17-35(18-6-1)49-55-50(36-19-7-2-8-20-36)58-53(57-49)41-27-13-25-39(33-41)43-29-15-31-45-46-32-16-30-44(48(46)61-47(43)45)40-26-14-28-42(34-40)54-59-51(37-21-9-3-10-22-37)56-52(60-54)38-23-11-4-12-24-38/h7-38H,1-6H3;3-34H,1-2H3;1-34H |
| InChIKey | VTPPBKDCKPBNAG-UHFFFAOYSA-N |
| XLogP | 43.09 |
| TPSA | 271.44 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 21 |
| Rotatable Bonds | 24 |
| Heavy Atoms | 193 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2488.99 |
| LogP ≤ 5 | 43.09 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 21 |