C194H209Cl4F10N3 — CID 159818714
1-chloro-4-[1-(4-chlorophenyl)-2-methylpropyl]benzene;1-chloro-4-[1-(4-fluorophenyl)-2-methylpropyl]benzene;1-chloro-4-[2-methyl-1-(4-methylphenyl)propyl]benzene;1-fluoro-2-[1-(4-fluorophenyl)-2-methylpropyl]benzene;1-fluoro-4-[1-(4-fluorophenyl)-2-methylpropyl]benzene;1-fluoro-4-(3-methylbutan-2-yl)benzene;1-fluoro-4-[2-methyl-1-(4-methylphenyl)propyl]benzene;5-fluoro-2-[2-methyl-1-(4-methylphenyl)propyl]pyridine;1-fluoro-4-(2-methyl-1-phenylpropyl)benzene;4-[1-(4-fluorophenyl)-2-methylpropyl]benzonitrile;1-isocyano-4-[2-methyl-1-(4-methylphenyl)propyl]benzene;1-methyl-4-[2-methyl-1-(4-methylphenyl)propyl]benzene (PubChem CID 159818714) has the molecular formula C194H209Cl4F10N3 and a molecular weight of 2914.62 g/mol. Its IUPAC name is 1-chloro-4-[1-(4-chlorophenyl)-2-methylpropyl]benzene;1-chloro-4-[1-(4-fluorophenyl)-2-methylpropyl]benzene;1-chloro-4-[2-methyl-1-(4-methylphenyl)propyl]benzene;1-fluoro-2-[1-(4-fluorophenyl)-2-methylpropyl]benzene;1-fluoro-4-[1-(4-fluorophenyl)-2-methylpropyl]benzene;1-fluoro-4-(3-methylbutan-2-yl)benzene;1-fluoro-4-[2-methyl-1-(4-methylphenyl)propyl]benzene;5-fluoro-2-[2-methyl-1-(4-methylphenyl)propyl]pyridine;1-fluoro-4-(2-methyl-1-phenylpropyl)benzene;4-[1-(4-fluorophenyl)-2-methylpropyl]benzonitrile;1-isocyano-4-[2-methyl-1-(4-methylphenyl)propyl]benzene;1-methyl-4-[2-methyl-1-(4-methylphenyl)propyl]benzene.
| Compound Name | 1-chloro-4-[1-(4-chlorophenyl)-2-methylpropyl]benzene;1-chloro-4-[1-(4-fluorophenyl)-2-methylpropyl]benzene;1-chloro-4-[2-methyl-1-(4-methylphenyl)propyl]benzene;1-fluoro-2-[1-(4-fluorophenyl)-2-methylpropyl]benzene;1-fluoro-4-[1-(4-fluorophenyl)-2-methylpropyl]benzene;1-fluoro-4-(3-methylbutan-2-yl)benzene;1-fluoro-4-[2-methyl-1-(4-methylphenyl)propyl]benzene;5-fluoro-2-[2-methyl-1-(4-methylphenyl)propyl]pyridine;1-fluoro-4-(2-methyl-1-phenylpropyl)benzene;4-[1-(4-fluorophenyl)-2-methylpropyl]benzonitrile;1-isocyano-4-[2-methyl-1-(4-methylphenyl)propyl]benzene;1-methyl-4-[2-methyl-1-(4-methylphenyl)propyl]benzene |
|---|---|
| PubChem CID | 159818714 |
| Molecular Formula | C194H209Cl4F10N3 |
| Molecular Weight | 2914.62 g/mol |
| Exact Mass | 2910.50 |
| IUPAC Name | 1-chloro-4-[1-(4-chlorophenyl)-2-methylpropyl]benzene;1-chloro-4-[1-(4-fluorophenyl)-2-methylpropyl]benzene;1-chloro-4-[2-methyl-1-(4-methylphenyl)propyl]benzene;1-fluoro-2-[1-(4-fluorophenyl)-2-methylpropyl]benzene;1-fluoro-4-[1-(4-fluorophenyl)-2-methylpropyl]benzene;1-fluoro-4-(3-methylbutan-2-yl)benzene;1-fluoro-4-[2-methyl-1-(4-methylphenyl)propyl]benzene;5-fluoro-2-[2-methyl-1-(4-methylphenyl)propyl]pyridine;1-fluoro-4-(2-methyl-1-phenylpropyl)benzene;4-[1-(4-fluorophenyl)-2-methylpropyl]benzonitrile;1-isocyano-4-[2-methyl-1-(4-methylphenyl)propyl]benzene;1-methyl-4-[2-methyl-1-(4-methylphenyl)propyl]benzene |
| SMILES | CC(C)C(C)c1ccc(F)cc1.CC(C)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1.CC(C)C(c1ccc(F)cc1)c1ccc(C#N)cc1.CC(C)C(c1ccc(F)cc1)c1ccc(Cl)cc1.CC(C)C(c1ccc(F)cc1)c1ccc(F)cc1.CC(C)C(c1ccc(F)cc1)c1ccccc1F.CC(C)C(c1ccccc1)c1ccc(F)cc1.Cc1ccc(C(c2ccc(C)cc2)C(C)C)cc1.Cc1ccc(C(c2ccc(Cl)cc2)C(C)C)cc1.Cc1ccc(C(c2ccc(F)cc2)C(C)C)cc1.Cc1ccc(C(c2ccc(F)cn2)C(C)C)cc1.[C-]#[N+]c1ccc(C(c2ccc(C)cc2)C(C)C)cc1 |
| InChI | InChI=1S/C18H19N.C18H22.C17H19Cl.C17H16FN.C17H19F.C16H16Cl2.C16H16ClF.2C16H16F2.C16H18FN.C16H17F.C11H15F/c1-13(2)18(15-7-5-14(3)6-8-15)16-9-11-17(19-4)12-10-16;1-13(2)18(16-9-5-14(3)6-10-16)17-11-7-15(4)8-12-17;1-12(2)17(14-6-4-13(3)5-7-14)15-8-10-16(18)11-9-15;1-12(2)17(15-7-9-16(18)10-8-15)14-5-3-13(11-19)4-6-14;1-12(2)17(14-6-4-13(3)5-7-14)15-8-10-16(18)11-9-15;3*1-11(2)16(12-3-7-14(17)8-4-12)13-5-9-15(18)10-6-13;1-11(2)16(12-7-9-13(17)10-8-12)14-5-3-4-6-15(14)18;1-11(2)16(13-6-4-12(3)5-7-13)15-9-8-14(17)10-18-15;1-12(2)16(13-6-4-3-5-7-13)14-8-10-15(17)11-9-14;1-8(2)9(3)10-4-6-11(12)7-5-10/h5-13,18H,1-3H3;5-13,18H,1-4H3;4-12,17H,1-3H3;3-10,12,17H,1-2H3;4-12,17H,1-3H3;4*3-11,16H,1-2H3;4-11,16H,1-3H3;3-12,16H,1-2H3;4-9H,1-3H3 |
| InChIKey | NLYMAZCIRFLNPO-UHFFFAOYSA-N |
| XLogP | 58.34 |
| TPSA | 41.04 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 35 |
| Heavy Atoms | 211 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2914.62 |
| LogP ≤ 5 | 58.34 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'} |
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