C154H226N15+5 — CID 161185543
9-(1,3-dimethylimidazol-1-ium-2-yl)-1-methylcarbazole;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-benzimidazole;1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;ethane;(3S)-3-methyl-2,3-dihydroimidazo[1,5-f]phenanthridine;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;1-methyl-9-(2-methylphenyl)pyrido[2,3-b]indol-1-ium;1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazole (PubChem CID 161185543) has the molecular formula C154H226N15+5 and a molecular weight of 2287.61 g/mol. Its IUPAC name is 9-(1,3-dimethylimidazol-1-ium-2-yl)-1-methylcarbazole;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-benzimidazole;1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;ethane;(3S)-3-methyl-2,3-dihydroimidazo[1,5-f]phenanthridine;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;1-methyl-9-(2-methylphenyl)pyrido[2,3-b]indol-1-ium;1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazole.
| Compound Name | 9-(1,3-dimethylimidazol-1-ium-2-yl)-1-methylcarbazole;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-benzimidazole;1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;ethane;(3S)-3-methyl-2,3-dihydroimidazo[1,5-f]phenanthridine;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;1-methyl-9-(2-methylphenyl)pyrido[2,3-b]indol-1-ium;1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazole |
|---|---|
| PubChem CID | 161185543 |
| Molecular Formula | C154H226N15+5 |
| Molecular Weight | 2287.61 g/mol |
| Exact Mass | 2285.81 |
| IUPAC Name | 9-(1,3-dimethylimidazol-1-ium-2-yl)-1-methylcarbazole;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-benzimidazole;1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;ethane;(3S)-3-methyl-2,3-dihydroimidazo[1,5-f]phenanthridine;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;1-methyl-9-(2-methylphenyl)pyrido[2,3-b]indol-1-ium;1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazole |
| SMILES | CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.C[C@H]1NC=C2c3ccccc3-c3ccccc3N21.Cc1cccc2c3ccccc3c3cc[n+](C)n3c12.Cc1cccc2c3ccccc3n(-c3cccc[n+]3C)c12.Cc1cccc2c3ccccc3n(-c3n(C)cc[n+]3C)c12.Cc1ccccc1-n1c2ccccc2c2ccc[n+](C)c21.Cc1ccccc1-n1ccc[n+]1C.Cc1ccccc1N1c2ccccc2N(C)[C@@H]1C |
| InChI | InChI=1S/2C19H17N2.C18H18N3.C17H15N2.C16H14N2.C16H18N2.C11H13N2.19C2H6/c1-14-8-3-5-11-17(14)21-18-12-6-4-9-15(18)16-10-7-13-20(2)19(16)21;1-14-8-7-10-16-15-9-3-4-11-17(15)21(19(14)16)18-12-5-6-13-20(18)2;1-13-7-6-9-15-14-8-4-5-10-16(14)21(17(13)15)18-19(2)11-12-20(18)3;1-12-6-5-9-15-13-7-3-4-8-14(13)16-10-11-18(2)19(16)17(12)15;1-11-17-10-16-14-8-3-2-6-12(14)13-7-4-5-9-15(13)18(11)16;1-12-8-4-5-9-14(12)18-13(2)17(3)15-10-6-7-11-16(15)18;1-10-6-3-4-7-11(10)13-9-5-8-12(13)2;19*1-2/h2*3-13H,1-2H3;4-12H,1-3H3;3-11H,1-2H3;2-11,17H,1H3;4-11,13H,1-3H3;3-9H,1-2H3;19*1-2H3/q4*+1;;;+1;;;;;;;;;;;;;;;;;;;/t;;;;11-;13-;;;;;;;;;;;;;;;;;;;;/m....00..................../s1 |
| InChIKey | LNWIMDGOENHMAE-NOOCDXAOSA-N |
| XLogP | 42.93 |
| TPSA | 70.21 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 10 |
| Rotatable Bonds | 5 |
| Heavy Atoms | 169 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2287.61 |
| LogP ≤ 5 | 42.93 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 10 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'} |
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