C296H172N16O18 — CID 159391384
4-(4-dibenzofuran-1-ylphenyl)-2,6-diphenylpyrimidine;4-(4-dibenzofuran-2-ylphenyl)-2,6-diphenylpyrimidine;4,6-di(dibenzofuran-3-yl)-2-phenylpyrimidine;4,6-di(dibenzofuran-4-yl)-2-phenylpyrimidine;2,4,6-tri(dibenzofuran-1-yl)pyrimidine;2,4,6-tri(dibenzofuran-2-yl)pyrimidine;2,4,6-tri(dibenzofuran-3-yl)pyrimidine;2,4,6-tri(dibenzofuran-4-yl)pyrimidine (PubChem CID 159391384) has the molecular formula C296H172N16O18 and a molecular weight of 4240.73 g/mol. Its IUPAC name is 4-(4-dibenzofuran-1-ylphenyl)-2,6-diphenylpyrimidine;4-(4-dibenzofuran-2-ylphenyl)-2,6-diphenylpyrimidine;4,6-di(dibenzofuran-3-yl)-2-phenylpyrimidine;4,6-di(dibenzofuran-4-yl)-2-phenylpyrimidine;2,4,6-tri(dibenzofuran-1-yl)pyrimidine;2,4,6-tri(dibenzofuran-2-yl)pyrimidine;2,4,6-tri(dibenzofuran-3-yl)pyrimidine;2,4,6-tri(dibenzofuran-4-yl)pyrimidine.
| Compound Name | 4-(4-dibenzofuran-1-ylphenyl)-2,6-diphenylpyrimidine;4-(4-dibenzofuran-2-ylphenyl)-2,6-diphenylpyrimidine;4,6-di(dibenzofuran-3-yl)-2-phenylpyrimidine;4,6-di(dibenzofuran-4-yl)-2-phenylpyrimidine;2,4,6-tri(dibenzofuran-1-yl)pyrimidine;2,4,6-tri(dibenzofuran-2-yl)pyrimidine;2,4,6-tri(dibenzofuran-3-yl)pyrimidine;2,4,6-tri(dibenzofuran-4-yl)pyrimidine |
|---|---|
| PubChem CID | 159391384 |
| Molecular Formula | C296H172N16O18 |
| Molecular Weight | 4240.73 g/mol |
| Exact Mass | 4237.30 |
| IUPAC Name | 4-(4-dibenzofuran-1-ylphenyl)-2,6-diphenylpyrimidine;4-(4-dibenzofuran-2-ylphenyl)-2,6-diphenylpyrimidine;4,6-di(dibenzofuran-3-yl)-2-phenylpyrimidine;4,6-di(dibenzofuran-4-yl)-2-phenylpyrimidine;2,4,6-tri(dibenzofuran-1-yl)pyrimidine;2,4,6-tri(dibenzofuran-2-yl)pyrimidine;2,4,6-tri(dibenzofuran-3-yl)pyrimidine;2,4,6-tri(dibenzofuran-4-yl)pyrimidine |
| SMILES | c1ccc(-c2cc(-c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccc(-c4cccc5oc6ccccc6c45)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3ccc4c(c3)oc3ccccc34)cc(-c3ccc4c(c3)oc3ccccc34)n2)cc1.c1ccc(-c2nc(-c3cccc4c3oc3ccccc34)cc(-c3cccc4c3oc3ccccc34)n2)cc1.c1ccc2c(c1)oc1c(-c3cc(-c4cccc5c4oc4ccccc45)nc(-c4cccc5c4oc4ccccc45)n3)cccc12.c1ccc2c(c1)oc1cc(-c3cc(-c4ccc5c(c4)oc4ccccc45)nc(-c4ccc5c(c4)oc4ccccc45)n3)ccc12.c1ccc2c(c1)oc1ccc(-c3cc(-c4ccc5oc6ccccc6c5c4)nc(-c4ccc5oc6ccccc6c5c4)n3)cc12.c1ccc2c(c1)oc1cccc(-c3cc(-c4cccc5oc6ccccc6c45)nc(-c4cccc5oc6ccccc6c45)n3)c12 |
| InChI | InChI=1S/4C40H22N2O3.2C34H20N2O2.2C34H22N2O/c1-4-19-34-23(10-1)26-13-7-16-29(37(26)43-34)32-22-33(30-17-8-14-27-24-11-2-5-20-35(24)44-38(27)30)42-40(41-32)31-18-9-15-28-25-12-3-6-21-36(25)45-39(28)31;1-4-16-31-25(10-1)37-23(13-7-19-34(37)43-31)29-22-30(24-14-8-20-35-38(24)26-11-2-5-17-32(26)44-35)42-40(41-29)28-15-9-21-36-39(28)27-12-3-6-18-33(27)45-36;1-4-10-34-26(7-1)29-19-23(13-16-37(29)43-34)32-22-33(24-14-17-38-30(20-24)27-8-2-5-11-35(27)44-38)42-40(41-32)25-15-18-39-31(21-25)28-9-3-6-12-36(28)45-39;1-4-10-34-26(7-1)29-16-13-23(19-37(29)43-34)32-22-33(24-14-17-30-27-8-2-5-11-35(27)44-38(30)20-24)42-40(41-32)25-15-18-31-28-9-3-6-12-36(28)45-39(31)21-25;1-2-10-21(11-3-1)34-35-28(26-16-8-14-24-22-12-4-6-18-30(22)37-32(24)26)20-29(36-34)27-17-9-15-25-23-13-5-7-19-31(23)38-33(25)27;1-2-8-21(9-3-1)34-35-28(22-14-16-26-24-10-4-6-12-30(24)37-32(26)18-22)20-29(36-34)23-15-17-27-25-11-5-7-13-31(25)38-33(27)19-23;1-3-10-24(11-4-1)29-22-30(36-34(35-29)26-12-5-2-6-13-26)25-20-18-23(19-21-25)27-15-9-17-32-33(27)28-14-7-8-16-31(28)37-32;1-3-9-24(10-4-1)30-22-31(36-34(35-30)26-11-5-2-6-12-26)25-17-15-23(16-18-25)27-19-20-33-29(21-27)28-13-7-8-14-32(28)37-33/h4*1-22H;2*1-20H;2*1-22H |
| InChIKey | LMDSUSNINSHKCQ-UHFFFAOYSA-N |
| XLogP | 81.34 |
| TPSA | 442.76 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 34 |
| Rotatable Bonds | 26 |
| Heavy Atoms | 330 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4240.73 |
| LogP ≤ 5 | 81.34 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 34 |