C260H158N10O10 — CID 160528168
4-[3,5-di(dibenzofuran-2-yl)phenyl]-2,6-diphenylpyrimidine;4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-(4-naphthalen-1-ylphenyl)-2-phenylpyrimidine;4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-(4-naphthalen-2-ylphenyl)-2-phenylpyrimidine;4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-naphthalen-2-yl-2-phenylpyrimidine;4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine (PubChem CID 160528168) has the molecular formula C260H158N10O10 and a molecular weight of 3582.18 g/mol. Its IUPAC name is 4-[3,5-di(dibenzofuran-2-yl)phenyl]-2,6-diphenylpyrimidine;4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-(4-naphthalen-1-ylphenyl)-2-phenylpyrimidine;4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-(4-naphthalen-2-ylphenyl)-2-phenylpyrimidine;4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-naphthalen-2-yl-2-phenylpyrimidine;4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine.
| Compound Name | 4-[3,5-di(dibenzofuran-2-yl)phenyl]-2,6-diphenylpyrimidine;4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-(4-naphthalen-1-ylphenyl)-2-phenylpyrimidine;4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-(4-naphthalen-2-ylphenyl)-2-phenylpyrimidine;4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-naphthalen-2-yl-2-phenylpyrimidine;4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine |
|---|---|
| PubChem CID | 160528168 |
| Molecular Formula | C260H158N10O10 |
| Molecular Weight | 3582.18 g/mol |
| Exact Mass | 3579.22 |
| IUPAC Name | 4-[3,5-di(dibenzofuran-2-yl)phenyl]-2,6-diphenylpyrimidine;4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-(4-naphthalen-1-ylphenyl)-2-phenylpyrimidine;4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-(4-naphthalen-2-ylphenyl)-2-phenylpyrimidine;4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-naphthalen-2-yl-2-phenylpyrimidine;4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine |
| SMILES | c1ccc(-c2cc(-c3cc(-c4ccc5oc6ccccc6c5c4)cc(-c4ccc5oc6ccccc6c5c4)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2ccc(-c3cc(-c4cc(-c5ccc6oc7ccccc7c6c5)cc(-c5ccc6oc7ccccc7c6c5)c4)nc(-c4ccccc4)n3)cc2)cc1.c1ccc(-c2nc(-c3cc(-c4ccc5oc6ccccc6c5c4)cc(-c4ccc5oc6ccccc6c5c4)c3)cc(-c3ccc4ccccc4c3)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc5ccccc5c4)cc3)cc(-c3cc(-c4cccc5c4oc4ccccc45)cc(-c4cccc5c4oc4ccccc45)c3)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4cccc5ccccc45)cc3)cc(-c3cc(-c4cccc5c4oc4ccccc45)cc(-c4cccc5c4oc4ccccc45)c3)n2)cc1 |
| InChI | InChI=1S/2C56H34N2O2.C52H32N2O2.C50H30N2O2.C46H28N2O2/c1-2-14-38(15-3-1)56-57-50(37-29-27-36(28-30-37)43-20-10-16-35-13-4-5-17-42(35)43)34-51(58-56)41-32-39(44-21-11-23-48-46-18-6-8-25-52(46)59-54(44)48)31-40(33-41)45-22-12-24-49-47-19-7-9-26-53(47)60-55(45)49;1-2-13-38(14-3-1)56-57-50(37-27-24-36(25-28-37)40-29-26-35-12-4-5-15-39(35)30-40)34-51(58-56)43-32-41(44-18-10-20-48-46-16-6-8-22-52(46)59-54(44)48)31-42(33-43)45-19-11-21-49-47-17-7-9-23-53(47)60-55(45)49;1-3-11-33(12-4-1)34-19-21-35(22-20-34)46-32-47(54-52(53-46)36-13-5-2-6-14-36)41-28-39(37-23-25-50-44(30-37)42-15-7-9-17-48(42)55-50)27-40(29-41)38-24-26-51-45(31-38)43-16-8-10-18-49(43)56-51;1-2-11-32(12-3-1)50-51-44(36-19-18-31-10-4-5-13-33(31)24-36)30-45(52-50)39-26-37(34-20-22-48-42(28-34)40-14-6-8-16-46(40)53-48)25-38(27-39)35-21-23-49-43(29-35)41-15-7-9-17-47(41)54-49;1-3-11-29(12-4-1)40-28-41(48-46(47-40)30-13-5-2-6-14-30)35-24-33(31-19-21-44-38(26-31)36-15-7-9-17-42(36)49-44)23-34(25-35)32-20-22-45-39(27-32)37-16-8-10-18-43(37)50-45/h2*1-34H;1-32H;1-30H;1-28H |
| InChIKey | QVEKHSFOSUIDRR-UHFFFAOYSA-N |
| XLogP | 71.51 |
| TPSA | 260.30 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 20 |
| Rotatable Bonds | 28 |
| Heavy Atoms | 280 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3582.18 |
| LogP ≤ 5 | 71.51 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 20 |