C170H109N5O5 — CID 159180017
4-(4-dibenzofuran-2-ylphenyl)-2,6-diphenylpyridine;2-(4-dibenzofuran-2-ylphenyl)-6-phenyl-4-(4-triphenylen-2-ylphenyl)pyridine;4-[3,5-di(dibenzofuran-1-yl)phenyl]-2,6-diphenylpyridine;8-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-3-methyl-[1]benzofuro[3,2-b]pyridine (PubChem CID 159180017) has the molecular formula C170H109N5O5 and a molecular weight of 2301.77 g/mol. Its IUPAC name is 4-(4-dibenzofuran-2-ylphenyl)-2,6-diphenylpyridine;2-(4-dibenzofuran-2-ylphenyl)-6-phenyl-4-(4-triphenylen-2-ylphenyl)pyridine;4-[3,5-di(dibenzofuran-1-yl)phenyl]-2,6-diphenylpyridine;8-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-3-methyl-[1]benzofuro[3,2-b]pyridine.
| Compound Name | 4-(4-dibenzofuran-2-ylphenyl)-2,6-diphenylpyridine;2-(4-dibenzofuran-2-ylphenyl)-6-phenyl-4-(4-triphenylen-2-ylphenyl)pyridine;4-[3,5-di(dibenzofuran-1-yl)phenyl]-2,6-diphenylpyridine;8-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-3-methyl-[1]benzofuro[3,2-b]pyridine |
|---|---|
| PubChem CID | 159180017 |
| Molecular Formula | C170H109N5O5 |
| Molecular Weight | 2301.77 g/mol |
| Exact Mass | 2299.84 |
| IUPAC Name | 4-(4-dibenzofuran-2-ylphenyl)-2,6-diphenylpyridine;2-(4-dibenzofuran-2-ylphenyl)-6-phenyl-4-(4-triphenylen-2-ylphenyl)pyridine;4-[3,5-di(dibenzofuran-1-yl)phenyl]-2,6-diphenylpyridine;8-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-3-methyl-[1]benzofuro[3,2-b]pyridine |
| SMILES | Cc1cnc2c(c1)oc1ccc(-c3ccc(-c4cc(-c5ccccc5)nc(-c5ccccc5)c4)cc3)cc12.c1ccc(-c2cc(-c3cc(-c4cccc5oc6ccccc6c45)cc(-c4cccc5oc6ccccc6c45)c3)cc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccc(-c4ccc5c6ccccc6c6ccccc6c5c4)cc3)cc(-c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)n2)cc1.c1ccc(-c2cc(-c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)cc(-c3ccccc3)n2)cc1 |
| InChI | InChI=1S/C53H33NO.C47H29NO2.C35H24N2O.C35H23NO/c1-2-10-37(11-3-1)50-32-41(33-51(54-50)38-24-22-35(23-25-38)40-27-29-53-49(31-40)47-16-8-9-17-52(47)55-53)36-20-18-34(19-21-36)39-26-28-46-44-14-5-4-12-42(44)43-13-6-7-15-45(43)48(46)30-39;1-3-13-30(14-4-1)40-28-33(29-41(48-40)31-15-5-2-6-16-31)32-25-34(36-19-11-23-44-46(36)38-17-7-9-21-42(38)49-44)27-35(26-32)37-20-12-24-45-47(37)39-18-8-10-22-43(39)50-45;1-23-18-34-35(36-22-23)30-19-28(16-17-33(30)38-34)24-12-14-25(15-13-24)29-20-31(26-8-4-2-5-9-26)37-32(21-29)27-10-6-3-7-11-27;1-3-9-26(10-4-1)32-22-29(23-33(36-32)27-11-5-2-6-12-27)25-17-15-24(16-18-25)28-19-20-35-31(21-28)30-13-7-8-14-34(30)37-35/h1-33H;1-29H;2-22H,1H3;1-23H |
| InChIKey | KMTPLUIOYLCTIU-UHFFFAOYSA-N |
| XLogP | 46.99 |
| TPSA | 130.15 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 10 |
| Rotatable Bonds | 18 |
| Heavy Atoms | 180 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2301.77 |
| LogP ≤ 5 | 46.99 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 10 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'} |
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