C129H77N9O6 — CID 158821536
2-(6,8-diphenyldibenzofuran-1-yl)-4-(4-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine;2-(6,8-diphenyldibenzofuran-1-yl)-4-(6-phenylpyridazin-3-yl)-[1]benzofuro[3,2-d]pyrimidine;2-(6,8-diphenyldibenzofuran-1-yl)-4-pyridin-2-yl-[1]benzofuro[3,2-d]pyrimidine (PubChem CID 158821536) has the molecular formula C129H77N9O6 and a molecular weight of 1849.09 g/mol. Its IUPAC name is 2-(6,8-diphenyldibenzofuran-1-yl)-4-(4-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine;2-(6,8-diphenyldibenzofuran-1-yl)-4-(6-phenylpyridazin-3-yl)-[1]benzofuro[3,2-d]pyrimidine;2-(6,8-diphenyldibenzofuran-1-yl)-4-pyridin-2-yl-[1]benzofuro[3,2-d]pyrimidine.
| Compound Name | 2-(6,8-diphenyldibenzofuran-1-yl)-4-(4-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine;2-(6,8-diphenyldibenzofuran-1-yl)-4-(6-phenylpyridazin-3-yl)-[1]benzofuro[3,2-d]pyrimidine;2-(6,8-diphenyldibenzofuran-1-yl)-4-pyridin-2-yl-[1]benzofuro[3,2-d]pyrimidine |
|---|---|
| PubChem CID | 158821536 |
| Molecular Formula | C129H77N9O6 |
| Molecular Weight | 1849.09 g/mol |
| Exact Mass | 1847.60 |
| IUPAC Name | 2-(6,8-diphenyldibenzofuran-1-yl)-4-(4-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine;2-(6,8-diphenyldibenzofuran-1-yl)-4-(6-phenylpyridazin-3-yl)-[1]benzofuro[3,2-d]pyrimidine;2-(6,8-diphenyldibenzofuran-1-yl)-4-pyridin-2-yl-[1]benzofuro[3,2-d]pyrimidine |
| SMILES | c1ccc(-c2cc(-c3ccccc3)c3oc4cccc(-c5nc(-c6ccc(-c7ccccc7)nn6)c6oc7ccccc7c6n5)c4c3c2)cc1.c1ccc(-c2cc(-c3ccccc3)c3oc4cccc(-c5nc(-c6ccccn6)c6oc7ccccc7c6n5)c4c3c2)cc1.c1ccc(-c2ccc(-c3nc(-c4cccc5oc6c(-c7ccccc7)cc(-c7ccccc7)cc6c45)nc4c3oc3ccccc34)cc2)cc1 |
| InChI | InChI=1S/C46H28N2O2.C44H26N4O2.C39H23N3O2/c1-4-13-29(14-5-1)31-23-25-33(26-24-31)42-45-43(35-19-10-11-21-39(35)49-45)48-46(47-42)36-20-12-22-40-41(36)38-28-34(30-15-6-2-7-16-30)27-37(44(38)50-40)32-17-8-3-9-18-32;1-4-13-27(14-5-1)30-25-33(28-15-6-2-7-16-28)42-34(26-30)39-32(20-12-22-38(39)50-42)44-45-40-31-19-10-11-21-37(31)49-43(40)41(46-44)36-24-23-35(47-48-36)29-17-8-3-9-18-29;1-3-12-24(13-4-1)26-22-29(25-14-5-2-6-15-25)37-30(23-26)34-28(17-11-20-33(34)44-37)39-41-35-27-16-7-8-19-32(27)43-38(35)36(42-39)31-18-9-10-21-40-31/h1-28H;1-26H;1-23H |
| InChIKey | IVXYVPYVQZXDIT-UHFFFAOYSA-N |
| XLogP | 34.35 |
| TPSA | 194.85 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 15 |
| Rotatable Bonds | 14 |
| Heavy Atoms | 144 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1849.09 |
| LogP ≤ 5 | 34.35 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 15 |