C148H86N12O6 — CID 163760325
6-[4-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]-[1]benzofuro[3,2-c]quinoline;6-[3-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]quinoline;6-[4-[3-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]quinoline (PubChem CID 163760325) has the molecular formula C148H86N12O6 and a molecular weight of 2128.39 g/mol. Its IUPAC name is 6-[4-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]-[1]benzofuro[3,2-c]quinoline;6-[3-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]quinoline;6-[4-[3-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]quinoline.
| Compound Name | 6-[4-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]-[1]benzofuro[3,2-c]quinoline;6-[3-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]quinoline;6-[4-[3-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]quinoline |
|---|---|
| PubChem CID | 163760325 |
| Molecular Formula | C148H86N12O6 |
| Molecular Weight | 2128.39 g/mol |
| Exact Mass | 2126.68 |
| IUPAC Name | 6-[4-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]-[1]benzofuro[3,2-c]quinoline;6-[3-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]quinoline;6-[4-[3-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]quinoline |
| SMILES | c1ccc(-c2nc(-c3ccc(-c4ccc(-c5nc6ccccc6c6oc7ccccc7c56)cc4)c4ccccc34)nc(-c3cccc4c3oc3ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4cccc(-c5nc6ccccc6c6oc7ccccc7c56)c4)cc3)nc(-c3cccc4c3oc3ccccc34)n2)cc1.c1ccc(-c2nc(-c3cccc(-c4ccc(-c5nc6ccccc6c6oc7ccccc7c56)cc4)c3)nc(-c3cccc4c3oc3ccccc34)n2)cc1 |
| InChI | InChI=1S/C52H30N4O2.2C48H28N4O2/c1-2-13-33(14-3-1)50-54-51(56-52(55-50)42-21-12-20-38-37-17-7-10-23-44(37)57-48(38)42)39-30-29-34(35-15-4-5-16-36(35)39)31-25-27-32(28-26-31)47-46-41-19-8-11-24-45(41)58-49(46)40-18-6-9-22-43(40)53-47;1-2-12-31(13-3-1)46-50-47(52-48(51-46)38-20-11-19-35-34-16-5-8-22-40(34)53-44(35)38)33-15-10-14-32(28-33)29-24-26-30(27-25-29)43-42-37-18-6-9-23-41(37)54-45(42)36-17-4-7-21-39(36)49-43;1-2-12-30(13-3-1)46-50-47(52-48(51-46)38-20-11-19-35-34-16-5-8-22-40(34)53-44(35)38)31-26-24-29(25-27-31)32-14-10-15-33(28-32)43-42-37-18-6-9-23-41(37)54-45(42)36-17-4-7-21-39(36)49-43/h1-30H;2*1-28H |
| InChIKey | LXQNBAGYOZEYIN-UHFFFAOYSA-N |
| XLogP | 38.81 |
| TPSA | 233.52 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 18 |
| Rotatable Bonds | 15 |
| Heavy Atoms | 166 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2128.39 |
| LogP ≤ 5 | 38.81 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 18 |