C229H298F5N5O3 — CID 159725384
3-[4-(4-butylcyclohexyl)phenyl]-6-propan-2-ylpyridazine;2,3-difluoro-1-(4-methylcyclohexyl)-4-(4-propan-2-ylphenyl)benzene;1-(4-ethoxycyclohexyl)-4-(4-propan-2-ylphenyl)benzene;5-(4-methoxycyclohexyl)-2-(4-propan-2-ylphenyl)pyridine;bis(1-(4-methylcyclohexyl)-4-(4-propan-2-ylphenyl)benzene);1-(4-pentylcyclohexyl)-4-(4-propan-2-ylphenyl)benzene;5-(4-pentylcyclohexyl)-2-(4-propan-2-ylphenyl)pyrimidine;1-propan-2-yl-4-[4-(4-propylcyclohexyl)phenyl]benzene;1-propan-2-yl-4-[4-[4-(trifluoromethoxy)cyclohexyl]phenyl]benzene (PubChem CID 159725384) has the molecular formula C229H298F5N5O3 and a molecular weight of 3263.92 g/mol. Its IUPAC name is 3-[4-(4-butylcyclohexyl)phenyl]-6-propan-2-ylpyridazine;2,3-difluoro-1-(4-methylcyclohexyl)-4-(4-propan-2-ylphenyl)benzene;1-(4-ethoxycyclohexyl)-4-(4-propan-2-ylphenyl)benzene;5-(4-methoxycyclohexyl)-2-(4-propan-2-ylphenyl)pyridine;bis(1-(4-methylcyclohexyl)-4-(4-propan-2-ylphenyl)benzene);1-(4-pentylcyclohexyl)-4-(4-propan-2-ylphenyl)benzene;5-(4-pentylcyclohexyl)-2-(4-propan-2-ylphenyl)pyrimidine;1-propan-2-yl-4-[4-(4-propylcyclohexyl)phenyl]benzene;1-propan-2-yl-4-[4-[4-(trifluoromethoxy)cyclohexyl]phenyl]benzene.
| Compound Name | 3-[4-(4-butylcyclohexyl)phenyl]-6-propan-2-ylpyridazine;2,3-difluoro-1-(4-methylcyclohexyl)-4-(4-propan-2-ylphenyl)benzene;1-(4-ethoxycyclohexyl)-4-(4-propan-2-ylphenyl)benzene;5-(4-methoxycyclohexyl)-2-(4-propan-2-ylphenyl)pyridine;bis(1-(4-methylcyclohexyl)-4-(4-propan-2-ylphenyl)benzene);1-(4-pentylcyclohexyl)-4-(4-propan-2-ylphenyl)benzene;5-(4-pentylcyclohexyl)-2-(4-propan-2-ylphenyl)pyrimidine;1-propan-2-yl-4-[4-(4-propylcyclohexyl)phenyl]benzene;1-propan-2-yl-4-[4-[4-(trifluoromethoxy)cyclohexyl]phenyl]benzene |
|---|---|
| PubChem CID | 159725384 |
| Molecular Formula | C229H298F5N5O3 |
| Molecular Weight | 3263.92 g/mol |
| Exact Mass | 3261.32 |
| IUPAC Name | 3-[4-(4-butylcyclohexyl)phenyl]-6-propan-2-ylpyridazine;2,3-difluoro-1-(4-methylcyclohexyl)-4-(4-propan-2-ylphenyl)benzene;1-(4-ethoxycyclohexyl)-4-(4-propan-2-ylphenyl)benzene;5-(4-methoxycyclohexyl)-2-(4-propan-2-ylphenyl)pyridine;bis(1-(4-methylcyclohexyl)-4-(4-propan-2-ylphenyl)benzene);1-(4-pentylcyclohexyl)-4-(4-propan-2-ylphenyl)benzene;5-(4-pentylcyclohexyl)-2-(4-propan-2-ylphenyl)pyrimidine;1-propan-2-yl-4-[4-(4-propylcyclohexyl)phenyl]benzene;1-propan-2-yl-4-[4-[4-(trifluoromethoxy)cyclohexyl]phenyl]benzene |
| SMILES | CC(C)c1ccc(-c2ccc(C3CCC(OC(F)(F)F)CC3)cc2)cc1.CC1CCC(c2ccc(-c3ccc(C(C)C)cc3)c(F)c2F)CC1.CC1CCC(c2ccc(-c3ccc(C(C)C)cc3)cc2)CC1.CC1CCC(c2ccc(-c3ccc(C(C)C)cc3)cc2)CC1.CCCC1CCC(c2ccc(-c3ccc(C(C)C)cc3)cc2)CC1.CCCCC1CCC(c2ccc(-c3ccc(C(C)C)nn3)cc2)CC1.CCCCCC1CCC(c2ccc(-c3ccc(C(C)C)cc3)cc2)CC1.CCCCCC1CCC(c2cnc(-c3ccc(C(C)C)cc3)nc2)CC1.CCOC1CCC(c2ccc(-c3ccc(C(C)C)cc3)cc2)CC1.COC1CCC(c2ccc(-c3ccc(C(C)C)cc3)nc2)CC1 |
| InChI | InChI=1S/C26H36.C24H34N2.C24H32.C23H32N2.C23H30O.C22H25F3O.C22H26F2.2C22H28.C21H27NO/c1-4-5-6-7-21-8-10-23(11-9-21)25-16-18-26(19-17-25)24-14-12-22(13-15-24)20(2)3;1-4-5-6-7-19-8-10-21(11-9-19)23-16-25-24(26-17-23)22-14-12-20(13-15-22)18(2)3;1-4-5-19-6-8-21(9-7-19)23-14-16-24(17-15-23)22-12-10-20(11-13-22)18(2)3;1-4-5-6-18-7-9-19(10-8-18)20-11-13-21(14-12-20)23-16-15-22(17(2)3)24-25-23;1-4-24-23-15-13-22(14-16-23)21-11-9-20(10-12-21)19-7-5-18(6-8-19)17(2)3;1-15(2)16-3-5-17(6-4-16)18-7-9-19(10-8-18)20-11-13-21(14-12-20)26-22(23,24)25;1-14(2)16-8-10-18(11-9-16)20-13-12-19(21(23)22(20)24)17-6-4-15(3)5-7-17;2*1-16(2)18-8-10-20(11-9-18)22-14-12-21(13-15-22)19-6-4-17(3)5-7-19;1-15(2)16-4-6-18(7-5-16)21-13-10-19(14-22-21)17-8-11-20(23-3)12-9-17/h12-21,23H,4-11H2,1-3H3;12-19,21H,4-11H2,1-3H3;10-19,21H,4-9H2,1-3H3;11-19H,4-10H2,1-3H3;5-12,17,22-23H,4,13-16H2,1-3H3;3-10,15,20-21H,11-14H2,1-2H3;8-15,17H,4-7H2,1-3H3;2*8-17,19H,4-7H2,1-3H3;4-7,10,13-15,17,20H,8-9,11-12H2,1-3H3 |
| InChIKey | NAOIDJRMKCMVKA-UHFFFAOYSA-N |
| XLogP | 69.45 |
| TPSA | 92.14 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 8 |
| Rotatable Bonds | 47 |
| Heavy Atoms | 242 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3263.92 |
| LogP ≤ 5 | 69.45 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 8 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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