9-(1,3-dimethylimidazol-1-ium-2-yl)-1-methylcarbazole;(8R)-8,9-dimethyl-7-(2-methylphenyl)-8H-purine;ethane;1-methyl-9-(2-methylphenyl)pyrido[2,3-b]indol-1-ium;1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazole

C92H134N11+3 — CID 161092536

About 9-(1,3-dimethylimidazol-1-ium-2-yl)-1-methylcarbazole;(8R)-8,9-dimethyl-7-(2-methylphenyl)-8H-purine;ethane;1-methyl-9-(2-methylphenyl)pyrido[2,3-b]indol-1-ium;1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazole

9-(1,3-dimethylimidazol-1-ium-2-yl)-1-methylcarbazole;(8R)-8,9-dimethyl-7-(2-methylphenyl)-8H-purine;ethane;1-methyl-9-(2-methylphenyl)pyrido[2,3-b]indol-1-ium;1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazole (PubChem CID 161092536) has the molecular formula C92H134N11+3 and a molecular weight of 1394.16 g/mol. Its IUPAC name is 9-(1,3-dimethylimidazol-1-ium-2-yl)-1-methylcarbazole;(8R)-8,9-dimethyl-7-(2-methylphenyl)-8H-purine;ethane;1-methyl-9-(2-methylphenyl)pyrido[2,3-b]indol-1-ium;1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazole.

Molecular Properties

• Compound Name: 9-(1,3-dimethylimidazol-1-ium-2-yl)-1-methylcarbazole;(8R)-8,9-dimethyl-7-(2-methylphenyl)-8H-purine;ethane;1-methyl-9-(2-methylphenyl)pyrido[2,3-b]indol-1-ium;1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazole
• PubChem CID: 161092536
• Molecular Formula: C92H134N11+3
• Molecular Weight: 1394.16 g/mol
• Exact Mass: 1393.08
• IUPAC Name: 9-(1,3-dimethylimidazol-1-ium-2-yl)-1-methylcarbazole;(8R)-8,9-dimethyl-7-(2-methylphenyl)-8H-purine;ethane;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.Cc1cccc2c3ccccc3n(-c3cccc[n+]3C)c12.Cc1cccc2c3ccccc3n(-c3n(C)cc[n+]3C)c12.Cc1ccccc1-n1c2ccccc2c2ccc[n+](C)c21.Cc1ccccc1N1c2cncnc2N(C)[C@@H]1C
• InChI: InChI=1S/2C19H17N2.C18H18N3.C14H16N4.11C2H6/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;1-10-6-4-5-7-12(10)18-11(2)17(3)14-13(18)8-15-9-16-14;11*1-2/h2*3-13H,1-2H3;4-12H,1-3H3;4-9,11H,1-3H3;11*1-2H3/q3*+1;;;;;;;;;;;;/t;;;11-;;;;;;;;;;;/m...0.........../s1
• InChIKey: RZRSETOWHMSJIF-DESWGCIFSA-N
• XLogP: 25.10
• TPSA: 63.62 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1394.16
LogP ≤ 5	25.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 9-(1,3-dimethylimidazol-1-ium-2-yl)-1-methylcarbazole;(8R)-8,9-dimethyl-7-(2-methylphenyl)-8H-purine;ethane;1-methyl-9-(2-methylphenyl)pyrido[2,3-b]indol-1-ium;1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazole?

The IUPAC name of 9-(1,3-dimethylimidazol-1-ium-2-yl)-1-methylcarbazole;(8R)-8,9-dimethyl-7-(2-methylphenyl)-8H-purine;ethane;1-methyl-9-(2-methylphenyl)pyrido[2,3-b]indol-1-ium;1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazole (CID 161092536) is 9-(1,3-dimethylimidazol-1-ium-2-yl)-1-methylcarbazole;(8R)-8,9-dimethyl-7-(2-methylphenyl)-8H-purine;ethane;1-methyl-9-(2-methylphenyl)pyrido[2,3-b]indol-1-ium;1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazole.

What is the SMILES notation for 9-(1,3-dimethylimidazol-1-ium-2-yl)-1-methylcarbazole;(8R)-8,9-dimethyl-7-(2-methylphenyl)-8H-purine;ethane;1-methyl-9-(2-methylphenyl)pyrido[2,3-b]indol-1-ium;1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazole?

The canonical SMILES for 9-(1,3-dimethylimidazol-1-ium-2-yl)-1-methylcarbazole;(8R)-8,9-dimethyl-7-(2-methylphenyl)-8H-purine;ethane;1-methyl-9-(2-methylphenyl)pyrido[2,3-b]indol-1-ium;1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazole is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1cccc2c3ccccc3n(-c3cccc[n+]3C)c12.Cc1cccc2c3ccccc3n(-c3n(C)cc[n+]3C)c12.Cc1ccccc1-n1c2ccccc2c2ccc[n+](C)c21.Cc1ccccc1N1c2cncnc2N(C)[C@@H]1C.

What is the InChIKey of 9-(1,3-dimethylimidazol-1-ium-2-yl)-1-methylcarbazole;(8R)-8,9-dimethyl-7-(2-methylphenyl)-8H-purine;ethane;1-methyl-9-(2-methylphenyl)pyrido[2,3-b]indol-1-ium;1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazole?

The InChIKey is RZRSETOWHMSJIF-DESWGCIFSA-N. The full InChI is InChI=1S/2C19H17N2.C18H18N3.C14H16N4.11C2H6/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;1-10-6-4-5-7-12(10)18-11(2)17(3)14-13(18)8-15-9-16-14;11*1-2/h2*3-13H,1-2H3;4-12H,1-3H3;4-9,11H,1-3H3;11*1-2H3/q3*+1;;;;;;;;;;;;/t;;;11-;;;;;;;;;;;/m...0.........../s1.

What are the key properties of 9-(1,3-dimethylimidazol-1-ium-2-yl)-1-methylcarbazole;(8R)-8,9-dimethyl-7-(2-methylphenyl)-8H-purine;ethane;1-methyl-9-(2-methylphenyl)pyrido[2,3-b]indol-1-ium;1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazole?

9-(1,3-dimethylimidazol-1-ium-2-yl)-1-methylcarbazole;(8R)-8,9-dimethyl-7-(2-methylphenyl)-8H-purine;ethane;1-methyl-9-(2-methylphenyl)pyrido[2,3-b]indol-1-ium;1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazole has a molecular weight of 1394.16 g/mol, XLogP of 25.10, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(1,3-dimethylimidazol-1-ium-2-yl)-1-methylcarbazole;(8R)-8,9-dimethyl-7-(2-methylphenyl)-8H-purine;ethane;1-methyl-9-(2-methylphenyl)pyrido[2,3-b]indol-1-ium;1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazole is sourced from PubChem (CID 161092536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).