C303H180FN15O12 — CID 158858797
4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-(4-fluorophenyl)-2-phenylpyrimidine;4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenyl-6-[3-(3-phenylphenyl)phenyl]pyrimidine;4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenyl-6-[3-(4-phenylphenyl)phenyl]pyrimidine;2-[6-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenylpyrimidin-4-yl]benzonitrile;3-[6-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenylpyrimidin-4-yl]benzonitrile;4-[6-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenylpyrimidin-4-yl]benzonitrile (PubChem CID 158858797) has the molecular formula C303H180FN15O12 and a molecular weight of 4241.86 g/mol. Its IUPAC name is 4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-(4-fluorophenyl)-2-phenylpyrimidine;4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenyl-6-[3-(3-phenylphenyl)phenyl]pyrimidine;4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenyl-6-[3-(4-phenylphenyl)phenyl]pyrimidine;2-[6-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenylpyrimidin-4-yl]benzonitrile;3-[6-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenylpyrimidin-4-yl]benzonitrile;4-[6-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenylpyrimidin-4-yl]benzonitrile.
| Compound Name | 4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-(4-fluorophenyl)-2-phenylpyrimidine;4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenyl-6-[3-(3-phenylphenyl)phenyl]pyrimidine;4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenyl-6-[3-(4-phenylphenyl)phenyl]pyrimidine;2-[6-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenylpyrimidin-4-yl]benzonitrile;3-[6-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenylpyrimidin-4-yl]benzonitrile;4-[6-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenylpyrimidin-4-yl]benzonitrile |
|---|---|
| PubChem CID | 158858797 |
| Molecular Formula | C303H180FN15O12 |
| Molecular Weight | 4241.86 g/mol |
| Exact Mass | 4238.39 |
| IUPAC Name | 4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-(4-fluorophenyl)-2-phenylpyrimidine;4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenyl-6-[3-(3-phenylphenyl)phenyl]pyrimidine;4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenyl-6-[3-(4-phenylphenyl)phenyl]pyrimidine;2-[6-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenylpyrimidin-4-yl]benzonitrile;3-[6-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenylpyrimidin-4-yl]benzonitrile;4-[6-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenylpyrimidin-4-yl]benzonitrile |
| SMILES | Fc1ccc(-c2cc(-c3cc(-c4ccc5oc6ccccc6c5c4)cc(-c4ccc5oc6ccccc6c5c4)c3)nc(-c3ccccc3)n2)cc1.N#Cc1ccc(-c2cc(-c3cc(-c4ccc5oc6ccccc6c5c4)cc(-c4ccc5oc6ccccc6c5c4)c3)nc(-c3ccccc3)n2)cc1.N#Cc1cccc(-c2cc(-c3cc(-c4ccc5oc6ccccc6c5c4)cc(-c4ccc5oc6ccccc6c5c4)c3)nc(-c3ccccc3)n2)c1.N#Cc1ccccc1-c1cc(-c2cc(-c3ccc4oc5ccccc5c4c3)cc(-c3ccc4oc5ccccc5c4c3)c2)nc(-c2ccccc2)n1.c1ccc(-c2ccc(-c3cccc(-c4cc(-c5cc(-c6ccc7oc8ccccc8c7c6)cc(-c6ccc7oc8ccccc8c7c6)c5)nc(-c5ccccc5)n4)c3)cc2)cc1.c1ccc(-c2cccc(-c3cccc(-c4cc(-c5cc(-c6ccc7oc8ccccc8c7c6)cc(-c6ccc7oc8ccccc8c7c6)c5)nc(-c5ccccc5)n4)c3)c2)cc1 |
| InChI | InChI=1S/2C58H36N2O2.3C47H27N3O2.C46H27FN2O2/c1-3-13-37(14-4-1)39-17-11-18-40(29-39)41-19-12-20-44(30-41)52-36-53(60-58(59-52)38-15-5-2-6-16-38)47-32-45(42-25-27-56-50(34-42)48-21-7-9-23-54(48)61-56)31-46(33-47)43-26-28-57-51(35-43)49-22-8-10-24-55(49)62-57;1-3-12-37(13-4-1)38-22-24-39(25-23-38)41-16-11-17-44(30-41)52-36-53(60-58(59-52)40-14-5-2-6-15-40)47-32-45(42-26-28-56-50(34-42)48-18-7-9-20-54(48)61-56)31-46(33-47)43-27-29-57-51(35-43)49-19-8-10-21-55(49)62-57;48-28-29-9-8-12-33(21-29)41-27-42(50-47(49-41)30-10-2-1-3-11-30)36-23-34(31-17-19-45-39(25-31)37-13-4-6-15-43(37)51-45)22-35(24-36)32-18-20-46-40(26-32)38-14-5-7-16-44(38)52-46;48-28-29-14-16-30(17-15-29)41-27-42(50-47(49-41)31-8-2-1-3-9-31)36-23-34(32-18-20-45-39(25-32)37-10-4-6-12-43(37)51-45)22-35(24-36)33-19-21-46-40(26-33)38-11-5-7-13-44(38)52-46;48-28-32-12-4-5-13-36(32)42-27-41(49-47(50-42)29-10-2-1-3-11-29)35-23-33(30-18-20-45-39(25-30)37-14-6-8-16-43(37)51-45)22-34(24-35)31-19-21-46-40(26-31)38-15-7-9-17-44(38)52-46;47-35-18-14-28(15-19-35)40-27-41(49-46(48-40)29-8-2-1-3-9-29)34-23-32(30-16-20-44-38(25-30)36-10-4-6-12-42(36)50-44)22-33(24-34)31-17-21-45-39(26-31)37-11-5-7-13-43(37)51-45/h2*1-36H;3*1-27H;1-27H |
| InChIKey | JAJYNGMKACERDY-UHFFFAOYSA-N |
| XLogP | 82.08 |
| TPSA | 383.73 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 27 |
| Rotatable Bonds | 34 |
| Heavy Atoms | 331 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4241.86 |
| LogP ≤ 5 | 82.08 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 27 |