C180H196N8+8 — CID 160818380
5-(4-cyclohexylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;5-(4-cyclopentylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;5-(3-ethylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-5-(3-methylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-5-[3-(2-methylpropyl)phenyl]pyridin-1-ium;1-methyl-2-(2-methylphenyl)-5-[4-(2-methylpropyl)phenyl]pyridin-1-ium;1-methyl-2-(2-methylphenyl)-5-(3-propan-2-ylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-5-(4-propan-2-ylphenyl)pyridin-1-ium (PubChem CID 160818380) has the molecular formula C180H196N8+8 and a molecular weight of 2471.60 g/mol. Its IUPAC name is 5-(4-cyclohexylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;5-(4-cyclopentylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;5-(3-ethylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-5-(3-methylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-5-[3-(2-methylpropyl)phenyl]pyridin-1-ium;1-methyl-2-(2-methylphenyl)-5-[4-(2-methylpropyl)phenyl]pyridin-1-ium;1-methyl-2-(2-methylphenyl)-5-(3-propan-2-ylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-5-(4-propan-2-ylphenyl)pyridin-1-ium.
| Compound Name | 5-(4-cyclohexylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;5-(4-cyclopentylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;5-(3-ethylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-5-(3-methylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-5-[3-(2-methylpropyl)phenyl]pyridin-1-ium;1-methyl-2-(2-methylphenyl)-5-[4-(2-methylpropyl)phenyl]pyridin-1-ium;1-methyl-2-(2-methylphenyl)-5-(3-propan-2-ylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-5-(4-propan-2-ylphenyl)pyridin-1-ium |
|---|---|
| PubChem CID | 160818380 |
| Molecular Formula | C180H196N8+8 |
| Molecular Weight | 2471.60 g/mol |
| Exact Mass | 2469.55 |
| IUPAC Name | 5-(4-cyclohexylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;5-(4-cyclopentylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;5-(3-ethylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-5-(3-methylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-5-[3-(2-methylpropyl)phenyl]pyridin-1-ium;1-methyl-2-(2-methylphenyl)-5-[4-(2-methylpropyl)phenyl]pyridin-1-ium;1-methyl-2-(2-methylphenyl)-5-(3-propan-2-ylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-5-(4-propan-2-ylphenyl)pyridin-1-ium |
| SMILES | CCc1cccc(-c2ccc(-c3ccccc3C)[n+](C)c2)c1.Cc1cccc(-c2ccc(-c3ccccc3C)[n+](C)c2)c1.Cc1ccccc1-c1ccc(-c2ccc(C(C)C)cc2)c[n+]1C.Cc1ccccc1-c1ccc(-c2ccc(C3CCCC3)cc2)c[n+]1C.Cc1ccccc1-c1ccc(-c2ccc(C3CCCCC3)cc2)c[n+]1C.Cc1ccccc1-c1ccc(-c2ccc(CC(C)C)cc2)c[n+]1C.Cc1ccccc1-c1ccc(-c2cccc(C(C)C)c2)c[n+]1C.Cc1ccccc1-c1ccc(-c2cccc(CC(C)C)c2)c[n+]1C |
| InChI | InChI=1S/C25H28N.C24H26N.2C23H26N.2C22H24N.C21H22N.C20H20N/c1-19-8-6-7-11-24(19)25-17-16-23(18-26(25)2)22-14-12-21(13-15-22)20-9-4-3-5-10-20;1-18-7-3-6-10-23(18)24-16-15-22(17-25(24)2)21-13-11-20(12-14-21)19-8-4-5-9-19;1-17(2)14-19-9-7-10-20(15-19)21-12-13-23(24(4)16-21)22-11-6-5-8-18(22)3;1-17(2)15-19-9-11-20(12-10-19)21-13-14-23(24(4)16-21)22-8-6-5-7-18(22)3;1-16(2)18-9-7-10-19(14-18)20-12-13-22(23(4)15-20)21-11-6-5-8-17(21)3;1-16(2)18-9-11-19(12-10-18)20-13-14-22(23(4)15-20)21-8-6-5-7-17(21)3;1-4-17-9-7-10-18(14-17)19-12-13-21(22(3)15-19)20-11-6-5-8-16(20)2;1-15-7-6-9-17(13-15)18-11-12-20(21(3)14-18)19-10-5-4-8-16(19)2/h6-8,11-18,20H,3-5,9-10H2,1-2H3;3,6-7,10-17,19H,4-5,8-9H2,1-2H3;5-13,15-17H,14H2,1-4H3;5-14,16-17H,15H2,1-4H3;2*5-16H,1-4H3;5-15H,4H2,1-3H3;4-14H,1-3H3/q8*+1 |
| InChIKey | MVXLUAPLISSUSV-UHFFFAOYSA-N |
| XLogP | 42.45 |
| TPSA | 31.04 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | |
| Rotatable Bonds | 25 |
| Heavy Atoms | 188 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2471.60 |
| LogP ≤ 5 | 42.45 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
| Structural Alerts | {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'} |
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