C211H306N16+6 — CID 157111631
(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-benzimidazole;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazole;3,5-dimethylpyrrolo[1,2-f]phenanthridine;ethane;2-methyl-1-(2-methylphenyl)-7H-cyclopenta[c]pyridin-2-ium;2-methyl-3-(2-methylphenyl)isoquinolin-2-ium;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;1-methyl-9-(2-methylphenyl)pyrido[2,3-b]indol-1-ium;1-methyl-2-(2-methylphenyl)quinolin-1-ium;1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazole;(3S)-2,3,5-trimethyl-3H-imidazo[1,5-f]phenanthridine (PubChem CID 157111631) has the molecular formula C211H306N16+6 and a molecular weight of 3066.88 g/mol. Its IUPAC name is (2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-benzimidazole;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazole;3,5-dimethylpyrrolo[1,2-f]phenanthridine;ethane;2-methyl-1-(2-methylphenyl)-7H-cyclopenta[c]pyridin-2-ium;2-methyl-3-(2-methylphenyl)isoquinolin-2-ium;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;1-methyl-9-(2-methylphenyl)pyrido[2,3-b]indol-1-ium;1-methyl-2-(2-methylphenyl)quinolin-1-ium;1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazole;(3S)-2,3,5-trimethyl-3H-imidazo[1,5-f]phenanthridine.
| Compound Name | (2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-benzimidazole;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazole;3,5-dimethylpyrrolo[1,2-f]phenanthridine;ethane;2-methyl-1-(2-methylphenyl)-7H-cyclopenta[c]pyridin-2-ium;2-methyl-3-(2-methylphenyl)isoquinolin-2-ium;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;1-methyl-9-(2-methylphenyl)pyrido[2,3-b]indol-1-ium;1-methyl-2-(2-methylphenyl)quinolin-1-ium;1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazole;(3S)-2,3,5-trimethyl-3H-imidazo[1,5-f]phenanthridine |
|---|---|
| PubChem CID | 157111631 |
| Molecular Formula | C211H306N16+6 |
| Molecular Weight | 3066.88 g/mol |
| Exact Mass | 3064.44 |
| IUPAC Name | (2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-benzimidazole;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazole;3,5-dimethylpyrrolo[1,2-f]phenanthridine;ethane;2-methyl-1-(2-methylphenyl)-7H-cyclopenta[c]pyridin-2-ium;2-methyl-3-(2-methylphenyl)isoquinolin-2-ium;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;1-methyl-9-(2-methylphenyl)pyrido[2,3-b]indol-1-ium;1-methyl-2-(2-methylphenyl)quinolin-1-ium;1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazole;(3S)-2,3,5-trimethyl-3H-imidazo[1,5-f]phenanthridine |
| SMILES | CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1cccc2c1N1C(=CN(C)[C@@H]1C)c1ccccc1-2.Cc1cccc2c3ccccc3c3ccc(C)n3c12.Cc1cccc2c3ccccc3n(-c3cccc[n+]3C)c12.Cc1ccccc1-c1c2c(cc[n+]1C)C=CC2.Cc1ccccc1-c1cc2ccccc2c[n+]1C.Cc1ccccc1-c1ccc2ccccc2[n+]1C.Cc1ccccc1-n1c2ccccc2c2ccc[n+](C)c21.Cc1ccccc1-n1ccc[n+]1C.Cc1ccccc1N1C=CN(C)[C@@H]1C.Cc1ccccc1N1c2ccccc2N(C)[C@@H]1C |
| InChI | InChI=1S/2C19H17N2.C18H18N2.C18H15N.2C17H16N.C16H18N2.C16H16N.C12H16N2.C11H13N2.24C2H6/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;1-12-7-6-10-16-14-8-4-5-9-15(14)17-11-19(3)13(2)20(17)18(12)16;1-12-6-5-9-16-14-7-3-4-8-15(14)17-11-10-13(2)19(17)18(12)16;1-13-7-3-6-10-16(13)17-11-14-8-4-5-9-15(14)12-18(17)2;1-13-7-3-5-9-15(13)17-12-11-14-8-4-6-10-16(14)18(17)2;1-12-8-4-5-9-14(12)18-13(2)17(3)15-10-6-7-11-16(15)18;1-12-6-3-4-8-14(12)16-15-9-5-7-13(15)10-11-17(16)2;1-10-6-4-5-7-12(10)14-9-8-13(3)11(14)2;1-10-6-3-4-7-11(10)13-9-5-8-12(13)2;24*1-2/h2*3-13H,1-2H3;4-11,13H,1-3H3;3-11H,1-2H3;2*3-12H,1-2H3;4-11,13H,1-3H3;3-8,10-11H,9H2,1-2H3;4-9,11H,1-3H3;3-9H,1-2H3;24*1-2H3/q2*+1;;;2*+1;;+1;;+1;;;;;;;;;;;;;;;;;;;;;;;;/t;;13-;;;;13-;;11-;;;;;;;;;;;;;;;;;;;;;;;;;/m..0...0.0........................./s1 |
| InChIKey | NGQHQDGLAFLJHM-LJTXPESISA-N |
| XLogP | 59.83 |
| TPSA | 61.92 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Heavy Atoms | 227 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3066.88 |
| LogP ≤ 5 | 59.83 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 10 |
| Structural Alerts | {'alert_name': 'het_pyridiniums_A(39)', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'} |
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