C255H156N10O10 — CID 159119029
4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidine;4-[3,5-di(dibenzofuran-1-yl)phenyl]-6-naphthalen-1-yl-2-phenylpyrimidine;4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-naphthalen-1-yl-2-phenylpyrimidine;4-[3,5-di(dibenzofuran-3-yl)phenyl]-6-naphthalen-1-yl-2-phenylpyrimidine;4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-naphthalen-1-yl-2-phenylpyrimidine (PubChem CID 159119029) has the molecular formula C255H156N10O10 and a molecular weight of 3520.11 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-1-yl)phenyl]-6-naphthalen-1-yl-2-phenylpyrimidine;4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-naphthalen-1-yl-2-phenylpyrimidine;4-[3,5-di(dibenzofuran-3-yl)phenyl]-6-naphthalen-1-yl-2-phenylpyrimidine;4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-naphthalen-1-yl-2-phenylpyrimidine.
| Compound Name | 4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidine;4-[3,5-di(dibenzofuran-1-yl)phenyl]-6-naphthalen-1-yl-2-phenylpyrimidine;4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-naphthalen-1-yl-2-phenylpyrimidine;4-[3,5-di(dibenzofuran-3-yl)phenyl]-6-naphthalen-1-yl-2-phenylpyrimidine;4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-naphthalen-1-yl-2-phenylpyrimidine |
|---|---|
| PubChem CID | 159119029 |
| Molecular Formula | C255H156N10O10 |
| Molecular Weight | 3520.11 g/mol |
| Exact Mass | 3517.20 |
| IUPAC Name | 4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidine;4-[3,5-di(dibenzofuran-1-yl)phenyl]-6-naphthalen-1-yl-2-phenylpyrimidine;4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-naphthalen-1-yl-2-phenylpyrimidine;4-[3,5-di(dibenzofuran-3-yl)phenyl]-6-naphthalen-1-yl-2-phenylpyrimidine;4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-naphthalen-1-yl-2-phenylpyrimidine |
| SMILES | CC1(C)c2ccccc2-c2ccc(-c3cc(-c4cc(-c5ccc6oc7ccccc7c6c5)cc(-c5ccc6oc7ccccc7c6c5)c4)nc(-c4ccccc4)n3)cc21.c1ccc(-c2nc(-c3cc(-c4ccc5c(c4)oc4ccccc45)cc(-c4ccc5c(c4)oc4ccccc45)c3)cc(-c3cccc4ccccc34)n2)cc1.c1ccc(-c2nc(-c3cc(-c4ccc5oc6ccccc6c5c4)cc(-c4ccc5oc6ccccc6c5c4)c3)cc(-c3cccc4ccccc34)n2)cc1.c1ccc(-c2nc(-c3cc(-c4cccc5c4oc4ccccc45)cc(-c4cccc5c4oc4ccccc45)c3)cc(-c3cccc4ccccc34)n2)cc1.c1ccc(-c2nc(-c3cc(-c4cccc5oc6ccccc6c45)cc(-c4cccc5oc6ccccc6c45)c3)cc(-c3cccc4ccccc34)n2)cc1 |
| InChI | InChI=1S/C55H36N2O2.4C50H30N2O2/c1-55(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;1-2-14-32(15-3-1)50-51-44(30-45(52-50)39-22-10-16-31-13-4-5-17-36(31)39)35-28-33(37-20-11-23-42-40-18-6-8-25-46(40)53-48(37)42)27-34(29-35)38-21-12-24-43-41-19-7-9-26-47(41)54-49(38)43;1-2-14-32(15-3-1)50-51-42(30-43(52-50)39-22-10-16-31-13-4-5-17-36(31)39)35-28-33(37-20-11-25-46-48(37)40-18-6-8-23-44(40)53-46)27-34(29-35)38-21-12-26-47-49(38)41-19-7-9-24-45(41)54-47;1-2-12-32(13-3-1)50-51-44(30-45(52-50)39-18-10-14-31-11-4-5-15-38(31)39)37-26-35(33-21-23-48-42(28-33)40-16-6-8-19-46(40)53-48)25-36(27-37)34-22-24-49-43(29-34)41-17-7-9-20-47(41)54-49;1-2-12-32(13-3-1)50-51-44(30-45(52-50)39-18-10-14-31-11-4-5-15-38(31)39)37-26-35(33-21-23-42-40-16-6-8-19-46(40)53-48(42)28-33)25-36(27-37)34-22-24-43-41-17-7-9-20-47(41)54-49(43)29-34/h3-32H,1-2H3;4*1-30H |
| InChIKey | KFLKBAUZMVGCOU-UHFFFAOYSA-N |
| XLogP | 69.97 |
| TPSA | 260.30 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 20 |
| Rotatable Bonds | 25 |
| Heavy Atoms | 275 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3520.11 |
| LogP ≤ 5 | 69.97 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 20 |