C199H181F28N9O8 — CID 173378045
5-[4-(4-butoxyphenyl)phenyl]-2-(trifluoromethyl)pyridine;5-[4-(4-ethoxyphenyl)phenyl]-2-(trifluoromethyl)pyridine;5-[4-(3-fluoro-4-methylphenyl)phenyl]-2-(trifluoromethyl)pyridine;5-[4-(4-heptoxyphenyl)phenyl]-2-(trifluoromethyl)pyridine;5-[4-(4-hexoxyphenyl)phenyl]-2-(trifluoromethyl)pyridine;5-[4-(4-methoxyphenyl)phenyl]-2-(trifluoromethyl)pyridine;5-[4-(4-octoxyphenyl)phenyl]-2-(trifluoromethyl)pyridine;5-[4-(4-pentoxyphenyl)phenyl]-2-(trifluoromethyl)pyridine;5-[4-(4-propoxyphenyl)phenyl]-2-(trifluoromethyl)pyridine (PubChem CID 173378045) has the molecular formula C199H181F28N9O8 and a molecular weight of 3358.64 g/mol. Its IUPAC name is 5-[4-(4-butoxyphenyl)phenyl]-2-(trifluoromethyl)pyridine;5-[4-(4-ethoxyphenyl)phenyl]-2-(trifluoromethyl)pyridine;5-[4-(3-fluoro-4-methylphenyl)phenyl]-2-(trifluoromethyl)pyridine;5-[4-(4-heptoxyphenyl)phenyl]-2-(trifluoromethyl)pyridine;5-[4-(4-hexoxyphenyl)phenyl]-2-(trifluoromethyl)pyridine;5-[4-(4-methoxyphenyl)phenyl]-2-(trifluoromethyl)pyridine;5-[4-(4-octoxyphenyl)phenyl]-2-(trifluoromethyl)pyridine;5-[4-(4-pentoxyphenyl)phenyl]-2-(trifluoromethyl)pyridine;5-[4-(4-propoxyphenyl)phenyl]-2-(trifluoromethyl)pyridine.
| Compound Name | 5-[4-(4-butoxyphenyl)phenyl]-2-(trifluoromethyl)pyridine;5-[4-(4-ethoxyphenyl)phenyl]-2-(trifluoromethyl)pyridine;5-[4-(3-fluoro-4-methylphenyl)phenyl]-2-(trifluoromethyl)pyridine;5-[4-(4-heptoxyphenyl)phenyl]-2-(trifluoromethyl)pyridine;5-[4-(4-hexoxyphenyl)phenyl]-2-(trifluoromethyl)pyridine;5-[4-(4-methoxyphenyl)phenyl]-2-(trifluoromethyl)pyridine;5-[4-(4-octoxyphenyl)phenyl]-2-(trifluoromethyl)pyridine;5-[4-(4-pentoxyphenyl)phenyl]-2-(trifluoromethyl)pyridine;5-[4-(4-propoxyphenyl)phenyl]-2-(trifluoromethyl)pyridine |
|---|---|
| PubChem CID | 173378045 |
| Molecular Formula | C199H181F28N9O8 |
| Molecular Weight | 3358.64 g/mol |
| Exact Mass | 3356.36 |
| IUPAC Name | 5-[4-(4-butoxyphenyl)phenyl]-2-(trifluoromethyl)pyridine;5-[4-(4-ethoxyphenyl)phenyl]-2-(trifluoromethyl)pyridine;5-[4-(3-fluoro-4-methylphenyl)phenyl]-2-(trifluoromethyl)pyridine;5-[4-(4-heptoxyphenyl)phenyl]-2-(trifluoromethyl)pyridine;5-[4-(4-hexoxyphenyl)phenyl]-2-(trifluoromethyl)pyridine;5-[4-(4-methoxyphenyl)phenyl]-2-(trifluoromethyl)pyridine;5-[4-(4-octoxyphenyl)phenyl]-2-(trifluoromethyl)pyridine;5-[4-(4-pentoxyphenyl)phenyl]-2-(trifluoromethyl)pyridine;5-[4-(4-propoxyphenyl)phenyl]-2-(trifluoromethyl)pyridine |
| SMILES | CCCCCCCCOc1ccc(-c2ccc(-c3ccc(C(F)(F)F)nc3)cc2)cc1.CCCCCCCOc1ccc(-c2ccc(-c3ccc(C(F)(F)F)nc3)cc2)cc1.CCCCCCOc1ccc(-c2ccc(-c3ccc(C(F)(F)F)nc3)cc2)cc1.CCCCCOc1ccc(-c2ccc(-c3ccc(C(F)(F)F)nc3)cc2)cc1.CCCCOc1ccc(-c2ccc(-c3ccc(C(F)(F)F)nc3)cc2)cc1.CCCOc1ccc(-c2ccc(-c3ccc(C(F)(F)F)nc3)cc2)cc1.CCOc1ccc(-c2ccc(-c3ccc(C(F)(F)F)nc3)cc2)cc1.COc1ccc(-c2ccc(-c3ccc(C(F)(F)F)nc3)cc2)cc1.Cc1ccc(-c2ccc(-c3ccc(C(F)(F)F)nc3)cc2)cc1F |
| InChI | InChI=1S/C26H28F3NO.C25H26F3NO.C24H24F3NO.C23H22F3NO.C22H20F3NO.C21H18F3NO.C20H16F3NO.C19H13F4N.C19H14F3NO/c1-2-3-4-5-6-7-18-31-24-15-12-21(13-16-24)20-8-10-22(11-9-20)23-14-17-25(30-19-23)26(27,28)29;1-2-3-4-5-6-17-30-23-14-11-20(12-15-23)19-7-9-21(10-8-19)22-13-16-24(29-18-22)25(26,27)28;1-2-3-4-5-16-29-22-13-10-19(11-14-22)18-6-8-20(9-7-18)21-12-15-23(28-17-21)24(25,26)27;1-2-3-4-15-28-21-12-9-18(10-13-21)17-5-7-19(8-6-17)20-11-14-22(27-16-20)23(24,25)26;1-2-3-14-27-20-11-8-17(9-12-20)16-4-6-18(7-5-16)19-10-13-21(26-15-19)22(23,24)25;1-2-13-26-19-10-7-16(8-11-19)15-3-5-17(6-4-15)18-9-12-20(25-14-18)21(22,23)24;1-2-25-18-10-7-15(8-11-18)14-3-5-16(6-4-14)17-9-12-19(24-13-17)20(21,22)23;1-12-2-3-15(10-17(12)20)13-4-6-14(7-5-13)16-8-9-18(24-11-16)19(21,22)23;1-24-17-9-6-14(7-10-17)13-2-4-15(5-3-13)16-8-11-18(23-12-16)19(20,21)22/h8-17,19H,2-7,18H2,1H3;7-16,18H,2-6,17H2,1H3;6-15,17H,2-5,16H2,1H3;5-14,16H,2-4,15H2,1H3;4-13,15H,2-3,14H2,1H3;3-12,14H,2,13H2,1H3;3-13H,2H2,1H3;2-11H,1H3;2-12H,1H3 |
| InChIKey | PZJLURIXOBQVHY-UHFFFAOYSA-N |
| XLogP | 60.35 |
| TPSA | 189.85 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 17 |
| Rotatable Bonds | 54 |
| Heavy Atoms | 244 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3358.64 |
| LogP ≤ 5 | 60.35 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 17 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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