C295H278F12N12O5 — CID 173419792
4-[2-[4-(4-butoxyphenyl)phenyl]ethyl]-2-fluorobenzonitrile;4-[2-[4-(4-butylphenyl)phenyl]ethyl]-2-fluorobenzonitrile;4-[2-[4-(4-ethoxyphenyl)phenyl]ethyl]-2-fluorobenzonitrile;4-[2-[4-(4-ethylphenyl)phenyl]ethyl]-2-fluorobenzonitrile;2-fluoro-4-[2-[4-(4-heptylphenyl)phenyl]ethyl]benzonitrile;2-fluoro-4-[2-[4-(4-hexylphenyl)phenyl]ethyl]benzonitrile;2-fluoro-4-[2-[4-(4-methoxyphenyl)phenyl]ethyl]benzonitrile;2-fluoro-4-[2-[4-(4-methylphenyl)phenyl]ethyl]benzonitrile;2-fluoro-4-[2-[4-(4-pentoxyphenyl)phenyl]ethyl]benzonitrile;2-fluoro-4-[2-[4-(4-pentylphenyl)phenyl]ethyl]benzonitrile;2-fluoro-4-[2-[4-(4-propoxyphenyl)phenyl]ethyl]benzonitrile;2-fluoro-4-[2-[4-(4-propylphenyl)phenyl]ethyl]benzonitrile (PubChem CID 173419792) has the molecular formula C295H278F12N12O5 and a molecular weight of 4299.52 g/mol. Its IUPAC name is 4-[2-[4-(4-butoxyphenyl)phenyl]ethyl]-2-fluorobenzonitrile;4-[2-[4-(4-butylphenyl)phenyl]ethyl]-2-fluorobenzonitrile;4-[2-[4-(4-ethoxyphenyl)phenyl]ethyl]-2-fluorobenzonitrile;4-[2-[4-(4-ethylphenyl)phenyl]ethyl]-2-fluorobenzonitrile;2-fluoro-4-[2-[4-(4-heptylphenyl)phenyl]ethyl]benzonitrile;2-fluoro-4-[2-[4-(4-hexylphenyl)phenyl]ethyl]benzonitrile;2-fluoro-4-[2-[4-(4-methoxyphenyl)phenyl]ethyl]benzonitrile;2-fluoro-4-[2-[4-(4-methylphenyl)phenyl]ethyl]benzonitrile;2-fluoro-4-[2-[4-(4-pentoxyphenyl)phenyl]ethyl]benzonitrile;2-fluoro-4-[2-[4-(4-pentylphenyl)phenyl]ethyl]benzonitrile;2-fluoro-4-[2-[4-(4-propoxyphenyl)phenyl]ethyl]benzonitrile;2-fluoro-4-[2-[4-(4-propylphenyl)phenyl]ethyl]benzonitrile.
| Compound Name | 4-[2-[4-(4-butoxyphenyl)phenyl]ethyl]-2-fluorobenzonitrile;4-[2-[4-(4-butylphenyl)phenyl]ethyl]-2-fluorobenzonitrile;4-[2-[4-(4-ethoxyphenyl)phenyl]ethyl]-2-fluorobenzonitrile;4-[2-[4-(4-ethylphenyl)phenyl]ethyl]-2-fluorobenzonitrile;2-fluoro-4-[2-[4-(4-heptylphenyl)phenyl]ethyl]benzonitrile;2-fluoro-4-[2-[4-(4-hexylphenyl)phenyl]ethyl]benzonitrile;2-fluoro-4-[2-[4-(4-methoxyphenyl)phenyl]ethyl]benzonitrile;2-fluoro-4-[2-[4-(4-methylphenyl)phenyl]ethyl]benzonitrile;2-fluoro-4-[2-[4-(4-pentoxyphenyl)phenyl]ethyl]benzonitrile;2-fluoro-4-[2-[4-(4-pentylphenyl)phenyl]ethyl]benzonitrile;2-fluoro-4-[2-[4-(4-propoxyphenyl)phenyl]ethyl]benzonitrile;2-fluoro-4-[2-[4-(4-propylphenyl)phenyl]ethyl]benzonitrile |
|---|---|
| PubChem CID | 173419792 |
| Molecular Formula | C295H278F12N12O5 |
| Molecular Weight | 4299.52 g/mol |
| Exact Mass | 4296.17 |
| IUPAC Name | 4-[2-[4-(4-butoxyphenyl)phenyl]ethyl]-2-fluorobenzonitrile;4-[2-[4-(4-butylphenyl)phenyl]ethyl]-2-fluorobenzonitrile;4-[2-[4-(4-ethoxyphenyl)phenyl]ethyl]-2-fluorobenzonitrile;4-[2-[4-(4-ethylphenyl)phenyl]ethyl]-2-fluorobenzonitrile;2-fluoro-4-[2-[4-(4-heptylphenyl)phenyl]ethyl]benzonitrile;2-fluoro-4-[2-[4-(4-hexylphenyl)phenyl]ethyl]benzonitrile;2-fluoro-4-[2-[4-(4-methoxyphenyl)phenyl]ethyl]benzonitrile;2-fluoro-4-[2-[4-(4-methylphenyl)phenyl]ethyl]benzonitrile;2-fluoro-4-[2-[4-(4-pentoxyphenyl)phenyl]ethyl]benzonitrile;2-fluoro-4-[2-[4-(4-pentylphenyl)phenyl]ethyl]benzonitrile;2-fluoro-4-[2-[4-(4-propoxyphenyl)phenyl]ethyl]benzonitrile;2-fluoro-4-[2-[4-(4-propylphenyl)phenyl]ethyl]benzonitrile |
| SMILES | CCCCCCCc1ccc(-c2ccc(CCc3ccc(C#N)c(F)c3)cc2)cc1.CCCCCCc1ccc(-c2ccc(CCc3ccc(C#N)c(F)c3)cc2)cc1.CCCCCOc1ccc(-c2ccc(CCc3ccc(C#N)c(F)c3)cc2)cc1.CCCCCc1ccc(-c2ccc(CCc3ccc(C#N)c(F)c3)cc2)cc1.CCCCOc1ccc(-c2ccc(CCc3ccc(C#N)c(F)c3)cc2)cc1.CCCCc1ccc(-c2ccc(CCc3ccc(C#N)c(F)c3)cc2)cc1.CCCOc1ccc(-c2ccc(CCc3ccc(C#N)c(F)c3)cc2)cc1.CCCc1ccc(-c2ccc(CCc3ccc(C#N)c(F)c3)cc2)cc1.CCOc1ccc(-c2ccc(CCc3ccc(C#N)c(F)c3)cc2)cc1.CCc1ccc(-c2ccc(CCc3ccc(C#N)c(F)c3)cc2)cc1.COc1ccc(-c2ccc(CCc3ccc(C#N)c(F)c3)cc2)cc1.Cc1ccc(-c2ccc(CCc3ccc(C#N)c(F)c3)cc2)cc1 |
| InChI | InChI=1S/C28H30FN.C27H28FN.C26H26FNO.C26H26FN.C25H24FNO.C25H24FN.C24H22FNO.C24H22FN.C23H20FNO.C23H20FN.C22H18FNO.C22H18FN/c1-2-3-4-5-6-7-22-10-15-25(16-11-22)26-17-12-23(13-18-26)8-9-24-14-19-27(21-30)28(29)20-24;1-2-3-4-5-6-21-9-14-24(15-10-21)25-16-11-22(12-17-25)7-8-23-13-18-26(20-29)27(28)19-23;1-2-3-4-17-29-25-15-13-23(14-16-25)22-10-7-20(8-11-22)5-6-21-9-12-24(19-28)26(27)18-21;1-2-3-4-5-20-8-13-23(14-9-20)24-15-10-21(11-16-24)6-7-22-12-17-25(19-28)26(27)18-22;1-2-3-16-28-24-14-12-22(13-15-24)21-9-6-19(7-10-21)4-5-20-8-11-23(18-27)25(26)17-20;1-2-3-4-19-7-12-22(13-8-19)23-14-9-20(10-15-23)5-6-21-11-16-24(18-27)25(26)17-21;1-2-15-27-23-13-11-21(12-14-23)20-8-5-18(6-9-20)3-4-19-7-10-22(17-26)24(25)16-19;1-2-3-18-6-11-21(12-7-18)22-13-8-19(9-14-22)4-5-20-10-15-23(17-26)24(25)16-20;1-2-26-22-13-11-20(12-14-22)19-8-5-17(6-9-19)3-4-18-7-10-21(16-25)23(24)15-18;1-2-17-5-10-20(11-6-17)21-12-7-18(8-13-21)3-4-19-9-14-22(16-25)23(24)15-19;1-25-21-12-10-19(11-13-21)18-7-4-16(5-8-18)2-3-17-6-9-20(15-24)22(23)14-17;1-16-2-9-19(10-3-16)20-11-6-17(7-12-20)4-5-18-8-13-21(15-24)22(23)14-18/h10-20H,2-9H2,1H3;9-19H,2-8H2,1H3;7-16,18H,2-6,17H2,1H3;8-18H,2-7H2,1H3;6-15,17H,2-5,16H2,1H3;7-17H,2-6H2,1H3;5-14,16H,2-4,15H2,1H3;6-16H,2-5H2,1H3;5-15H,2-4H2,1H3;5-15H,2-4H2,1H3;4-14H,2-3H2,1H3;2-3,6-14H,4-5H2,1H3 |
| InChIKey | RMGJIWIEJLCCBY-UHFFFAOYSA-N |
| XLogP | 75.27 |
| TPSA | 331.63 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 17 |
| Rotatable Bonds | 84 |
| Heavy Atoms | 324 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4299.52 |
| LogP ≤ 5 | 75.27 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 17 |