C219H133N15O4S4 — CID 164980808
3-dibenzofuran-4-yl-2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-4-phenylthieno[3,2-c]quinoline;3-dibenzofuran-4-yl-2-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-phenylthieno[3,2-c]quinoline;3-dibenzofuran-4-yl-2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-phenylthieno[3,2-c]quinoline;3-dibenzofuran-4-yl-4-phenyl-2-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]thieno[3,2-c]quinoline (PubChem CID 164980808) has the molecular formula C219H133N15O4S4 and a molecular weight of 3166.84 g/mol. Its IUPAC name is 3-dibenzofuran-4-yl-2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-4-phenylthieno[3,2-c]quinoline;3-dibenzofuran-4-yl-2-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-phenylthieno[3,2-c]quinoline;3-dibenzofuran-4-yl-2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-phenylthieno[3,2-c]quinoline;3-dibenzofuran-4-yl-4-phenyl-2-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]thieno[3,2-c]quinoline.
| Compound Name | 3-dibenzofuran-4-yl-2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-4-phenylthieno[3,2-c]quinoline;3-dibenzofuran-4-yl-2-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-phenylthieno[3,2-c]quinoline;3-dibenzofuran-4-yl-2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-phenylthieno[3,2-c]quinoline;3-dibenzofuran-4-yl-4-phenyl-2-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]thieno[3,2-c]quinoline |
|---|---|
| PubChem CID | 164980808 |
| Molecular Formula | C219H133N15O4S4 |
| Molecular Weight | 3166.84 g/mol |
| Exact Mass | 3163.95 |
| IUPAC Name | 3-dibenzofuran-4-yl-2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-4-phenylthieno[3,2-c]quinoline;3-dibenzofuran-4-yl-2-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-phenylthieno[3,2-c]quinoline;3-dibenzofuran-4-yl-2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-phenylthieno[3,2-c]quinoline;3-dibenzofuran-4-yl-4-phenyl-2-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]thieno[3,2-c]quinoline |
| SMILES | c1ccc(-c2cc(-c3ccc(-c4sc5c(c(-c6ccccc6)nc6ccccc65)c4-c4cccc5c4oc4ccccc45)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5sc6c(c(-c7ccccc7)nc7ccccc76)c5-c5cccc6c5oc5ccccc56)cc4)n3)c2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc(-c5sc6c(c(-c7ccccc7)nc7ccccc76)c5-c5cccc6c5oc5ccccc56)cc4)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc(-c5sc6c(c(-c7ccccc7)nc7ccccc76)c5-c5cccc6c5oc5ccccc56)c4)c3)n2)cc1 |
| InChI | InChI=1S/3C56H34N4OS.C51H31N3OS/c1-4-17-35(18-5-1)50-49-48(45-30-16-29-43-42-27-11-13-32-47(42)61-51(43)45)52(62-53(49)44-28-10-12-31-46(44)57-50)40-25-14-23-38(33-40)39-24-15-26-41(34-39)56-59-54(36-19-6-2-7-20-36)58-55(60-56)37-21-8-3-9-22-37;1-4-16-35(17-5-1)40-22-14-23-41(34-40)56-59-54(38-20-8-3-9-21-38)58-55(60-56)39-32-30-37(31-33-39)52-48(45-27-15-26-43-42-24-11-13-29-47(42)61-51(43)45)49-50(36-18-6-2-7-19-36)57-46-28-12-10-25-44(46)53(49)62-52;1-4-15-37(16-5-1)50-49-48(45-24-14-23-43-42-21-11-13-26-47(42)61-51(43)45)52(62-53(49)44-22-10-12-25-46(44)57-50)38-31-27-35(28-32-38)36-29-33-41(34-30-36)56-59-54(39-17-6-2-7-18-39)58-55(60-56)40-19-8-3-9-20-40;1-4-15-32(16-5-1)42-31-43(54-51(53-42)36-19-8-3-9-20-36)33-27-29-35(30-28-33)49-45(40-24-14-23-38-37-21-11-13-26-44(37)55-48(38)40)46-47(34-17-6-2-7-18-34)52-41-25-12-10-22-39(41)50(46)56-49/h3*1-34H;1-31H |
| InChIKey | FLNSSDNERSZINX-UHFFFAOYSA-N |
| XLogP | 59.75 |
| TPSA | 245.91 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 23 |
| Rotatable Bonds | 27 |
| Heavy Atoms | 242 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3166.84 |
| LogP ≤ 5 | 59.75 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 23 |