C384H224N28O10 — CID 157402932
2-[3-[6-(4-dibenzofuran-2-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-1,10-phenanthroline;2-[3-[6-(4-dibenzofuran-4-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-1,10-phenanthroline;2-(6-dibenzofuran-2-ylpyren-1-yl)-9-phenyl-1,10-phenanthroline;2-(6-dibenzofuran-4-ylpyren-1-yl)-9-phenyl-1,10-phenanthroline;2-[4-[6-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-1,10-phenanthroline;2-[4-[6-[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-1,10-phenanthroline;2-[8-(1,10-phenanthrolin-2-yl)dibenzofuran-2-yl]-1,10-phenanthroline;2-phenyl-9-[8-(9-phenyl-1,10-phenanthrolin-2-yl)dibenzofuran-2-yl]-1,10-phenanthroline (PubChem CID 157402932) has the molecular formula C384H224N28O10 and a molecular weight of 5390.20 g/mol. Its IUPAC name is 2-[3-[6-(4-dibenzofuran-2-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-1,10-phenanthroline;2-[3-[6-(4-dibenzofuran-4-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-1,10-phenanthroline;2-(6-dibenzofuran-2-ylpyren-1-yl)-9-phenyl-1,10-phenanthroline;2-(6-dibenzofuran-4-ylpyren-1-yl)-9-phenyl-1,10-phenanthroline;2-[4-[6-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-1,10-phenanthroline;2-[4-[6-[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-1,10-phenanthroline;2-[8-(1,10-phenanthrolin-2-yl)dibenzofuran-2-yl]-1,10-phenanthroline;2-phenyl-9-[8-(9-phenyl-1,10-phenanthrolin-2-yl)dibenzofuran-2-yl]-1,10-phenanthroline.
| Compound Name | 2-[3-[6-(4-dibenzofuran-2-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-1,10-phenanthroline;2-[3-[6-(4-dibenzofuran-4-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-1,10-phenanthroline;2-(6-dibenzofuran-2-ylpyren-1-yl)-9-phenyl-1,10-phenanthroline;2-(6-dibenzofuran-4-ylpyren-1-yl)-9-phenyl-1,10-phenanthroline;2-[4-[6-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-1,10-phenanthroline;2-[4-[6-[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-1,10-phenanthroline;2-[8-(1,10-phenanthrolin-2-yl)dibenzofuran-2-yl]-1,10-phenanthroline;2-phenyl-9-[8-(9-phenyl-1,10-phenanthrolin-2-yl)dibenzofuran-2-yl]-1,10-phenanthroline |
|---|---|
| PubChem CID | 157402932 |
| Molecular Formula | C384H224N28O10 |
| Molecular Weight | 5390.20 g/mol |
| Exact Mass | 5385.79 |
| IUPAC Name | 2-[3-[6-(4-dibenzofuran-2-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-1,10-phenanthroline;2-[3-[6-(4-dibenzofuran-4-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-1,10-phenanthroline;2-(6-dibenzofuran-2-ylpyren-1-yl)-9-phenyl-1,10-phenanthroline;2-(6-dibenzofuran-4-ylpyren-1-yl)-9-phenyl-1,10-phenanthroline;2-[4-[6-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-1,10-phenanthroline;2-[4-[6-[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-1,10-phenanthroline;2-[8-(1,10-phenanthrolin-2-yl)dibenzofuran-2-yl]-1,10-phenanthroline;2-phenyl-9-[8-(9-phenyl-1,10-phenanthrolin-2-yl)dibenzofuran-2-yl]-1,10-phenanthroline |
| SMILES | c1ccc(-c2ccc3ccc4ccc(-c5ccc6ccc7c(-c8ccc9oc%10ccccc%10c9c8)ccc8ccc5c6c87)nc4c3n2)cc1.c1ccc(-c2ccc3ccc4ccc(-c5ccc6ccc7c(-c8cccc9c8oc8ccccc89)ccc8ccc5c6c87)nc4c3n2)cc1.c1ccc(-c2ccc3ccc4ccc(-c5ccc6oc7ccc(-c8ccc9ccc%10ccc(-c%11ccccc%11)nc%10c9n8)cc7c6c5)nc4c3n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc5ccc6cccnc6c5n4)cc3)cc(-c3cc(-c4ccc5oc6ccccc6c5c4)cc(-c4ccc5oc6ccccc6c5c4)c3)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc5ccc6cccnc6c5n4)cc3)cc(-c3cc(-c4cccc5c4oc4ccccc45)cc(-c4cccc5c4oc4ccccc45)c3)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)cc(-c3cccc(-c4ccc5ccc6cccnc6c5n4)c3)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4cccc5c4oc4ccccc45)cc3)cc(-c3cccc(-c4ccc5ccc6cccnc6c5n4)c3)n2)cc1.c1cnc2c(c1)ccc1ccc(-c3ccc4oc5ccc(-c6ccc7ccc8cccnc8c7n6)cc5c4c3)nc12 |
| InChI | InChI=1S/2C58H34N4O2.C48H28N4O.2C46H28N4O.2C46H26N2O.C36H20N4O/c1-2-11-39(12-3-1)58-61-50(36-24-22-35(23-25-36)49-29-28-38-27-26-37-13-10-30-59-54(37)55(38)60-49)34-51(62-58)42-32-40(43-16-8-18-47-45-14-4-6-20-52(45)63-56(43)47)31-41(33-42)44-17-9-19-48-46-15-5-7-21-53(46)64-57(44)48;1-2-9-39(10-3-1)58-61-50(36-18-16-35(17-19-36)49-25-22-38-21-20-37-11-8-28-59-56(37)57(38)60-49)34-51(62-58)44-30-42(40-23-26-54-47(32-40)45-12-4-6-14-52(45)63-54)29-43(31-44)41-24-27-55-48(33-41)46-13-5-7-15-53(46)64-55;1-3-7-29(8-4-1)39-21-15-31-11-13-33-17-23-41(51-47(33)45(31)49-39)35-19-25-43-37(27-35)38-28-36(20-26-44(38)53-43)42-24-18-34-14-12-32-16-22-40(30-9-5-2-6-10-30)50-46(32)48(34)52-42;1-2-9-33(10-3-1)46-49-40(30-20-18-29(19-21-30)36-15-7-16-38-37-14-4-5-17-42(37)51-45(36)38)28-41(50-46)35-12-6-11-34(27-35)39-25-24-32-23-22-31-13-8-26-47-43(31)44(32)48-39;1-2-8-33(9-3-1)46-49-40(30-17-15-29(16-18-30)34-22-24-43-38(27-34)37-13-4-5-14-42(37)51-43)28-41(50-46)36-11-6-10-35(26-36)39-23-21-32-20-19-31-12-7-25-47-44(31)45(32)48-39;1-2-7-27(8-3-1)39-25-19-30-13-14-31-20-26-40(48-45(31)44(30)47-39)33-22-16-29-17-23-35-32(21-15-28-18-24-36(33)43(29)42(28)35)37-10-6-11-38-34-9-4-5-12-41(34)49-46(37)38;1-2-6-27(7-3-1)39-23-16-30-10-11-31-17-24-40(48-46(31)45(30)47-39)34-20-13-29-14-21-36-33(19-12-28-15-22-37(34)44(29)43(28)36)32-18-25-42-38(26-32)35-8-4-5-9-41(35)49-42;1-3-21-5-7-23-9-13-29(39-35(23)33(21)37-17-1)25-11-15-31-27(19-25)28-20-26(12-16-32(28)41-31)30-14-10-24-8-6-22-4-2-18-38-34(22)36(24)40-30/h2*1-34H;1-28H;2*1-28H;2*1-26H;1-20H |
| InChIKey | BNJOZQUHPWJKPB-UHFFFAOYSA-N |
| XLogP | 101.08 |
| TPSA | 492.32 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 38 |
| Rotatable Bonds | 34 |
| Heavy Atoms | 422 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 5390.20 |
| LogP ≤ 5 | 101.08 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 38 |