C222H142N12O5 — CID 158497651
2-(3-dibenzofuran-4-ylphenyl)-4-phenyl-6-[8-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine;2-phenyl-4-(2-phenylphenyl)-6-[8-[3-phenyl-5-(3-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-[8-[2-[3-(3-phenylphenyl)phenyl]phenyl]dibenzofuran-1-yl]-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-[8-[4-[3-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-1-yl]-1,3,5-triazine (PubChem CID 158497651) has the molecular formula C222H142N12O5 and a molecular weight of 3057.66 g/mol. Its IUPAC name is 2-(3-dibenzofuran-4-ylphenyl)-4-phenyl-6-[8-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine;2-phenyl-4-(2-phenylphenyl)-6-[8-[3-phenyl-5-(3-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-[8-[2-[3-(3-phenylphenyl)phenyl]phenyl]dibenzofuran-1-yl]-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-[8-[4-[3-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-1-yl]-1,3,5-triazine.
| Compound Name | 2-(3-dibenzofuran-4-ylphenyl)-4-phenyl-6-[8-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine;2-phenyl-4-(2-phenylphenyl)-6-[8-[3-phenyl-5-(3-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-[8-[2-[3-(3-phenylphenyl)phenyl]phenyl]dibenzofuran-1-yl]-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-[8-[4-[3-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-1-yl]-1,3,5-triazine |
|---|---|
| PubChem CID | 158497651 |
| Molecular Formula | C222H142N12O5 |
| Molecular Weight | 3057.66 g/mol |
| Exact Mass | 3055.12 |
| IUPAC Name | 2-(3-dibenzofuran-4-ylphenyl)-4-phenyl-6-[8-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine;2-phenyl-4-(2-phenylphenyl)-6-[8-[3-phenyl-5-(3-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-[8-[2-[3-(3-phenylphenyl)phenyl]phenyl]dibenzofuran-1-yl]-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-[8-[4-[3-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-1-yl]-1,3,5-triazine |
| SMILES | c1ccc(-c2cccc(-c3cc(-c4ccccc4)cc(-c4ccc5oc6cccc(-c7nc(-c8ccccc8)nc(-c8ccccc8-c8ccccc8)n7)c6c5c4)c3)c2)cc1.c1ccc(-c2cccc(-c3ccc4oc5cccc(-c6nc(-c7ccccc7)nc(-c7cccc(-c8cccc9c8oc8ccccc89)c7)n6)c5c4c3)c2)cc1.c1ccc(-c2cccc(-c3cccc(-c4ccccc4-c4ccc5oc6cccc(-c7nc(-c8ccccc8)nc(-c8cccc(-c9ccccc9)c8)n7)c6c5c4)c3)c2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cccc5oc6ccc(-c7ccc(-c8cccc(-c9ccccc9-c9ccccc9)c8)cc7)cc6c45)n3)c2)cc1 |
| InChI | InChI=1S/3C57H37N3O.C51H31N3O2/c1-5-17-38(18-6-1)42-25-15-26-43(33-42)46-34-45(39-19-7-2-8-20-39)35-47(36-46)44-31-32-52-51(37-44)54-50(29-16-30-53(54)61-52)57-59-55(41-23-11-4-12-24-41)58-56(60-57)49-28-14-13-27-48(49)40-21-9-3-10-22-40;1-4-16-38(17-5-1)41-22-12-24-43(34-41)44-25-13-26-45(35-44)48-28-10-11-29-49(48)46-32-33-52-51(37-46)54-50(30-15-31-53(54)61-52)57-59-55(40-20-8-3-9-21-40)58-56(60-57)47-27-14-23-42(36-47)39-18-6-2-7-19-39;1-4-15-38(16-5-1)44-22-13-24-47(36-44)56-58-55(42-19-8-3-9-20-42)59-57(60-56)50-27-14-28-53-54(50)51-37-45(33-34-52(51)61-53)40-31-29-39(30-32-40)43-21-12-23-46(35-43)49-26-11-10-25-48(49)41-17-6-2-7-18-41;1-3-13-32(14-4-1)34-17-9-18-35(29-34)36-27-28-45-43(31-36)47-42(24-12-26-46(47)55-45)51-53-49(33-15-5-2-6-16-33)52-50(54-51)38-20-10-19-37(30-38)39-22-11-23-41-40-21-7-8-25-44(40)56-48(39)41/h3*1-37H;1-31H |
| InChIKey | HJMMJXAUHOEQKP-UHFFFAOYSA-N |
| XLogP | 58.99 |
| TPSA | 220.38 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 17 |
| Rotatable Bonds | 30 |
| Heavy Atoms | 239 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3057.66 |
| LogP ≤ 5 | 58.99 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 17 |