C272H176N16O8 — CID 159208053
4-(2-dibenzofuran-1-ylphenyl)-2,6-diphenylpyrimidine;4-(2-dibenzofuran-2-ylphenyl)-2,6-diphenylpyrimidine;4-(2-dibenzofuran-3-ylphenyl)-2,6-diphenylpyrimidine;4-(2-dibenzofuran-4-ylphenyl)-2,6-diphenylpyrimidine;4-(3-dibenzofuran-1-ylphenyl)-2,6-diphenylpyrimidine;4-(3-dibenzofuran-2-ylphenyl)-2,6-diphenylpyrimidine;4-(3-dibenzofuran-3-ylphenyl)-2,6-diphenylpyrimidine;4-(3-dibenzofuran-4-ylphenyl)-2,6-diphenylpyrimidine (PubChem CID 159208053) has the molecular formula C272H176N16O8 and a molecular weight of 3796.50 g/mol. Its IUPAC name is 4-(2-dibenzofuran-1-ylphenyl)-2,6-diphenylpyrimidine;4-(2-dibenzofuran-2-ylphenyl)-2,6-diphenylpyrimidine;4-(2-dibenzofuran-3-ylphenyl)-2,6-diphenylpyrimidine;4-(2-dibenzofuran-4-ylphenyl)-2,6-diphenylpyrimidine;4-(3-dibenzofuran-1-ylphenyl)-2,6-diphenylpyrimidine;4-(3-dibenzofuran-2-ylphenyl)-2,6-diphenylpyrimidine;4-(3-dibenzofuran-3-ylphenyl)-2,6-diphenylpyrimidine;4-(3-dibenzofuran-4-ylphenyl)-2,6-diphenylpyrimidine.
| Compound Name | 4-(2-dibenzofuran-1-ylphenyl)-2,6-diphenylpyrimidine;4-(2-dibenzofuran-2-ylphenyl)-2,6-diphenylpyrimidine;4-(2-dibenzofuran-3-ylphenyl)-2,6-diphenylpyrimidine;4-(2-dibenzofuran-4-ylphenyl)-2,6-diphenylpyrimidine;4-(3-dibenzofuran-1-ylphenyl)-2,6-diphenylpyrimidine;4-(3-dibenzofuran-2-ylphenyl)-2,6-diphenylpyrimidine;4-(3-dibenzofuran-3-ylphenyl)-2,6-diphenylpyrimidine;4-(3-dibenzofuran-4-ylphenyl)-2,6-diphenylpyrimidine |
|---|---|
| PubChem CID | 159208053 |
| Molecular Formula | C272H176N16O8 |
| Molecular Weight | 3796.50 g/mol |
| Exact Mass | 3793.39 |
| IUPAC Name | 4-(2-dibenzofuran-1-ylphenyl)-2,6-diphenylpyrimidine;4-(2-dibenzofuran-2-ylphenyl)-2,6-diphenylpyrimidine;4-(2-dibenzofuran-3-ylphenyl)-2,6-diphenylpyrimidine;4-(2-dibenzofuran-4-ylphenyl)-2,6-diphenylpyrimidine;4-(3-dibenzofuran-1-ylphenyl)-2,6-diphenylpyrimidine;4-(3-dibenzofuran-2-ylphenyl)-2,6-diphenylpyrimidine;4-(3-dibenzofuran-3-ylphenyl)-2,6-diphenylpyrimidine;4-(3-dibenzofuran-4-ylphenyl)-2,6-diphenylpyrimidine |
| SMILES | c1ccc(-c2cc(-c3cccc(-c4ccc5c(c4)oc4ccccc45)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3cccc(-c4ccc5oc6ccccc6c5c4)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3cccc(-c4cccc5c4oc4ccccc45)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3cccc(-c4cccc5oc6ccccc6c45)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3-c3ccc4c(c3)oc3ccccc34)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3-c3ccc4oc5ccccc5c4c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3-c3cccc4c3oc3ccccc34)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3-c3cccc4oc5ccccc5c34)nc(-c3ccccc3)n2)cc1 |
| InChI | InChI=1S/8C34H22N2O/c1-3-11-23(12-4-1)30-22-31(36-34(35-30)24-13-5-2-6-14-24)26-16-9-15-25(21-26)27-18-10-19-29-28-17-7-8-20-32(28)37-33(27)29;1-3-11-23(12-4-1)29-22-30(36-34(35-29)24-13-5-2-6-14-24)26-16-9-15-25(21-26)27-18-10-20-32-33(27)28-17-7-8-19-31(28)37-32;1-3-12-23(13-4-1)30-22-31(36-34(35-30)24-14-5-2-6-15-24)26-17-8-7-16-25(26)28-19-11-20-29-27-18-9-10-21-32(27)37-33(28)29;1-3-12-23(13-4-1)29-22-30(36-34(35-29)24-14-5-2-6-15-24)26-17-8-7-16-25(26)27-19-11-21-32-33(27)28-18-9-10-20-31(28)37-32;1-3-11-23(12-4-1)30-22-31(36-34(35-30)24-13-5-2-6-14-24)27-16-8-7-15-26(27)25-19-20-33-29(21-25)28-17-9-10-18-32(28)37-33;1-3-11-23(12-4-1)30-22-31(36-34(35-30)24-13-5-2-6-14-24)27-16-8-7-15-26(27)25-19-20-29-28-17-9-10-18-32(28)37-33(29)21-25;1-3-10-23(11-4-1)30-22-31(36-34(35-30)24-12-5-2-6-13-24)27-15-9-14-25(20-27)26-18-19-33-29(21-26)28-16-7-8-17-32(28)37-33;1-3-10-23(11-4-1)30-22-31(36-34(35-30)24-12-5-2-6-13-24)27-15-9-14-25(20-27)26-18-19-29-28-16-7-8-17-32(28)37-33(29)21-26/h8*1-22H |
| InChIKey | KQDCGLZRDAJLBQ-UHFFFAOYSA-N |
| XLogP | 72.35 |
| TPSA | 311.36 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 24 |
| Rotatable Bonds | 32 |
| Heavy Atoms | 296 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3796.50 |
| LogP ≤ 5 | 72.35 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 24 |