C251H154F2N10O10 — CID 159545616
4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidine;4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-(4-fluorophenyl)-2-phenylpyrimidine;4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-(4-fluorophenyl)-2-phenylpyrimidine;4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenyl-6-(3-phenylphenyl)pyrimidine;4-[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenyl-6-(3-phenylphenyl)pyrimidine (PubChem CID 159545616) has the molecular formula C251H154F2N10O10 and a molecular weight of 3508.05 g/mol. Its IUPAC name is 4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidine;4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-(4-fluorophenyl)-2-phenylpyrimidine;4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-(4-fluorophenyl)-2-phenylpyrimidine;4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenyl-6-(3-phenylphenyl)pyrimidine;4-[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenyl-6-(3-phenylphenyl)pyrimidine.
| Compound Name | 4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidine;4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-(4-fluorophenyl)-2-phenylpyrimidine;4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-(4-fluorophenyl)-2-phenylpyrimidine;4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenyl-6-(3-phenylphenyl)pyrimidine;4-[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenyl-6-(3-phenylphenyl)pyrimidine |
|---|---|
| PubChem CID | 159545616 |
| Molecular Formula | C251H154F2N10O10 |
| Molecular Weight | 3508.05 g/mol |
| Exact Mass | 3505.18 |
| IUPAC Name | 4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidine;4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-(4-fluorophenyl)-2-phenylpyrimidine;4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-(4-fluorophenyl)-2-phenylpyrimidine;4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenyl-6-(3-phenylphenyl)pyrimidine;4-[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenyl-6-(3-phenylphenyl)pyrimidine |
| SMILES | CC1(C)c2ccccc2-c2ccc(-c3cc(-c4cc(-c5cccc6c5oc5ccccc56)cc(-c5cccc6c5oc5ccccc56)c4)nc(-c4ccccc4)n3)cc21.Fc1ccc(-c2cc(-c3cc(-c4ccc5oc6ccccc6c5c4)cc(-c4ccc5oc6ccccc6c5c4)c3)nc(-c3ccccc3)n2)cc1.Fc1ccc(-c2cc(-c3cc(-c4cccc5c4oc4ccccc45)cc(-c4cccc5c4oc4ccccc45)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cccc(-c3cc(-c4cc(-c5ccc6oc7ccccc7c6c5)cc(-c5ccc6oc7ccccc7c6c5)c4)nc(-c4ccccc4)n3)c2)cc1.c1ccc(-c2cccc(-c3cc(-c4cc(-c5cccc6c5oc5ccccc56)cc(-c5cccc6c5oc5ccccc56)c4)nc(-c4ccccc4)n3)c2)cc1 |
| InChI | InChI=1S/C55H36N2O2.2C52H32N2O2.2C46H27FN2O2/c1-55(2)46-23-9-6-16-40(46)41-27-26-34(31-47(41)55)48-32-49(57-54(56-48)33-14-4-3-5-15-33)37-29-35(38-19-12-21-44-42-17-7-10-24-50(42)58-52(38)44)28-36(30-37)39-20-13-22-45-43-18-8-11-25-51(43)59-53(39)45;1-3-14-33(15-4-1)35-18-11-19-36(28-35)46-32-47(54-52(53-46)34-16-5-2-6-17-34)39-30-37(40-22-12-24-44-42-20-7-9-26-48(42)55-50(40)44)29-38(31-39)41-23-13-25-45-43-21-8-10-27-49(43)56-51(41)45;1-3-12-33(13-4-1)35-16-11-17-38(26-35)46-32-47(54-52(53-46)34-14-5-2-6-15-34)41-28-39(36-22-24-50-44(30-36)42-18-7-9-20-48(42)55-50)27-40(29-41)37-23-25-51-45(31-37)43-19-8-10-21-49(43)56-51;47-33-22-20-28(21-23-33)40-27-41(49-46(48-40)29-10-2-1-3-11-29)32-25-30(34-14-8-16-38-36-12-4-6-18-42(36)50-44(34)38)24-31(26-32)35-15-9-17-39-37-13-5-7-19-43(37)51-45(35)39;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/h3-32H,1-2H3;2*1-32H;2*1-27H |
| InChIKey | METKYASFCVPZBY-UHFFFAOYSA-N |
| XLogP | 68.97 |
| TPSA | 260.30 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 20 |
| Rotatable Bonds | 27 |
| Heavy Atoms | 273 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3508.05 |
| LogP ≤ 5 | 68.97 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 20 |