C156H96N12O3 — CID 160700548
1-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-6-naphthalen-1-yl-[1]benzofuro[3,2-c]quinoline;1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-naphthalen-1-yl-[1]benzofuro[3,2-c]quinoline;6-naphthalen-1-yl-1-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-c]quinoline (PubChem CID 160700548) has the molecular formula C156H96N12O3 and a molecular weight of 2186.56 g/mol. Its IUPAC name is 1-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-6-naphthalen-1-yl-[1]benzofuro[3,2-c]quinoline;1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-naphthalen-1-yl-[1]benzofuro[3,2-c]quinoline;6-naphthalen-1-yl-1-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-c]quinoline.
| Compound Name | 1-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-6-naphthalen-1-yl-[1]benzofuro[3,2-c]quinoline;1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-naphthalen-1-yl-[1]benzofuro[3,2-c]quinoline;6-naphthalen-1-yl-1-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-c]quinoline |
|---|---|
| PubChem CID | 160700548 |
| Molecular Formula | C156H96N12O3 |
| Molecular Weight | 2186.56 g/mol |
| Exact Mass | 2184.77 |
| IUPAC Name | 1-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-6-naphthalen-1-yl-[1]benzofuro[3,2-c]quinoline;1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-naphthalen-1-yl-[1]benzofuro[3,2-c]quinoline;6-naphthalen-1-yl-1-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-c]quinoline |
| SMILES | c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc(-c5cccc6nc(-c7cccc8ccccc78)c7c8ccccc8oc7c56)cc4)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5cccc6nc(-c7cccc8ccccc78)c7c8ccccc8oc7c56)cc4)n3)cc2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc5nc(-c6cccc7ccccc67)c6c7ccccc7oc6c45)cc3)n2)cc1 |
| InChI | InChI=1S/C58H36N4O.C52H32N4O.C46H28N4O/c1-3-13-37(14-4-1)39-25-31-43(32-26-39)56-60-57(44-33-27-40(28-34-44)38-15-5-2-6-16-38)62-58(61-56)45-35-29-42(30-36-45)47-21-12-23-50-52(47)55-53(49-20-9-10-24-51(49)63-55)54(59-50)48-22-11-18-41-17-7-8-19-46(41)48;1-3-13-33(14-4-1)34-25-29-38(30-26-34)51-54-50(37-16-5-2-6-17-37)55-52(56-51)39-31-27-36(28-32-39)41-21-12-23-44-46(41)49-47(43-20-9-10-24-45(43)57-49)48(53-44)42-22-11-18-35-15-7-8-19-40(35)42;1-3-14-31(15-4-1)44-48-45(32-16-5-2-6-17-32)50-46(49-44)33-27-25-30(26-28-33)35-21-12-23-38-40(35)43-41(37-20-9-10-24-39(37)51-43)42(47-38)36-22-11-18-29-13-7-8-19-34(29)36/h1-36H;1-32H;1-28H |
| InChIKey | RQOFHQOEHDTSLV-UHFFFAOYSA-N |
| XLogP | 40.42 |
| TPSA | 194.10 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 15 |
| Rotatable Bonds | 18 |
| Heavy Atoms | 171 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2186.56 |
| LogP ≤ 5 | 40.42 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 15 |