C214H136N8O8 — CID 160795004
4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidine;4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-(9,9-dimethylfluoren-2-yl)-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 160795004) has the molecular formula C214H136N8O8 and a molecular weight of 2947.49 g/mol. Its IUPAC name is 4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidine;4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-(9,9-dimethylfluoren-2-yl)-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-2-yl)phenyl]-6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidine;4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-(9,9-dimethylfluoren-2-yl)-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 | 160795004 |
| Molecular Formula | C214H136N8O8 |
| Molecular Weight | 2947.49 g/mol |
| Exact Mass | 2945.05 |
| IUPAC Name | 4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidine;4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-(9,9-dimethylfluoren-2-yl)-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(-c5ccc6oc7ccccc7c6c5)cc(-c5ccc6oc7ccccc7c6c5)c4)nc(-c4ccccc4)n3)cc21.CC1(C)c2ccccc2-c2ccc(-c3cc(-c4cc(-c5cccc6c5oc5ccccc56)cc(-c5cccc6c5oc5ccccc56)c4)nc(-c4ccccc4)n3)cc21.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/2C55H36N2O2.2C52H32N2O2/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;1-55(2)46-17-9-6-14-40(46)41-23-20-36(31-47(41)55)48-32-49(57-54(56-48)33-12-4-3-5-13-33)39-27-37(34-21-24-52-44(29-34)42-15-7-10-18-50(42)58-52)26-38(28-39)35-22-25-53-45(30-35)43-16-8-11-19-51(43)59-53;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/h2*3-32H,1-2H3;2*1-32H |
| InChIKey | SCIAWXFIFBYQLW-UHFFFAOYSA-N |
| XLogP | 58.39 |
| TPSA | 208.24 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 16 |
| Rotatable Bonds | 22 |
| Heavy Atoms | 230 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2947.49 |
| LogP ≤ 5 | 58.39 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 16 |