9-(1,3-dimethylimidazol-1-ium-2-yl)-1-methylcarbazole;1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;ethane;1-methyl-9-(2-methylphenyl)pyrido[2,3-b]indol-1-ium;1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazole;1-(2-methylphenyl)pyrazole

C111H161N11+4 — CID 159898776

About 9-(1,3-dimethylimidazol-1-ium-2-yl)-1-methylcarbazole;1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;ethane;1-methyl-9-(2-methylphenyl)pyrido[2,3-b]indol-1-ium;1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazole;1-(2-methylphenyl)pyrazole

9-(1,3-dimethylimidazol-1-ium-2-yl)-1-methylcarbazole;1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;ethane;1-methyl-9-(2-methylphenyl)pyrido[2,3-b]indol-1-ium;1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazole;1-(2-methylphenyl)pyrazole (PubChem CID 159898776) has the molecular formula C111H161N11+4 and a molecular weight of 1649.59 g/mol. Its IUPAC name is 9-(1,3-dimethylimidazol-1-ium-2-yl)-1-methylcarbazole;1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;ethane;1-methyl-9-(2-methylphenyl)pyrido[2,3-b]indol-1-ium;1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazole;1-(2-methylphenyl)pyrazole.

Molecular Properties

• Compound Name: 9-(1,3-dimethylimidazol-1-ium-2-yl)-1-methylcarbazole;1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;ethane;1-methyl-9-(2-methylphenyl)pyrido[2,3-b]indol-1-ium;1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazole;1-(2-methylphenyl)pyrazole
• PubChem CID: 159898776
• Molecular Formula: C111H161N11+4
• Molecular Weight: 1649.59 g/mol
• Exact Mass: 1648.29
• IUPAC Name: 9-(1,3-dimethylimidazol-1-ium-2-yl)-1-methylcarbazole;1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;ethane;1-methyl-9-(2-methylphenyl)pyrido[2,3-b]indol-1-ium;1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazole;1-(2-methylphenyl)pyrazole
• SMILES: CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1cccc2c3ccccc3c3cc[n+](C)n3c12.Cc1cccc2c3ccccc3n(-c3cccc[n+]3C)c12.Cc1cccc2c3ccccc3n(-c3n(C)cc[n+]3C)c12.Cc1ccccc1-n1c2ccccc2c2ccc[n+](C)c21.Cc1ccccc1-n1cccn1
• InChI: InChI=1S/2C19H17N2.C18H18N3.C17H15N2.C10H10N2.14C2H6/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;1-9-5-2-3-6-10(9)12-8-4-7-11-12;14*1-2/h2*3-13H,1-2H3;4-12H,1-3H3;3-11H,1-2H3;2-8H,1H3;14*1-2H3/q4*+1
• InChIKey: MVKNCEDNTIBIOH-UHFFFAOYSA-N
• XLogP: 31.01
• TPSA: 57.47 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1649.59
LogP ≤ 5	31.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'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;1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;ethane;1-methyl-9-(2-methylphenyl)pyrido[2,3-b]indol-1-ium;1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazole;1-(2-methylphenyl)pyrazole?

The IUPAC name of 9-(1,3-dimethylimidazol-1-ium-2-yl)-1-methylcarbazole;1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;ethane;1-methyl-9-(2-methylphenyl)pyrido[2,3-b]indol-1-ium;1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazole;1-(2-methylphenyl)pyrazole (CID 159898776) is 9-(1,3-dimethylimidazol-1-ium-2-yl)-1-methylcarbazole;1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;ethane;1-methyl-9-(2-methylphenyl)pyrido[2,3-b]indol-1-ium;1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazole;1-(2-methylphenyl)pyrazole.

What is the SMILES notation for 9-(1,3-dimethylimidazol-1-ium-2-yl)-1-methylcarbazole;1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;ethane;1-methyl-9-(2-methylphenyl)pyrido[2,3-b]indol-1-ium;1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazole;1-(2-methylphenyl)pyrazole?

The canonical SMILES for 9-(1,3-dimethylimidazol-1-ium-2-yl)-1-methylcarbazole;1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;ethane;1-methyl-9-(2-methylphenyl)pyrido[2,3-b]indol-1-ium;1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazole;1-(2-methylphenyl)pyrazole is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1cccc2c3ccccc3c3cc[n+](C)n3c12.Cc1cccc2c3ccccc3n(-c3cccc[n+]3C)c12.Cc1cccc2c3ccccc3n(-c3n(C)cc[n+]3C)c12.Cc1ccccc1-n1c2ccccc2c2ccc[n+](C)c21.Cc1ccccc1-n1cccn1.

What is the InChIKey of 9-(1,3-dimethylimidazol-1-ium-2-yl)-1-methylcarbazole;1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;ethane;1-methyl-9-(2-methylphenyl)pyrido[2,3-b]indol-1-ium;1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazole;1-(2-methylphenyl)pyrazole?

The InChIKey is MVKNCEDNTIBIOH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C19H17N2.C18H18N3.C17H15N2.C10H10N2.14C2H6/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;1-9-5-2-3-6-10(9)12-8-4-7-11-12;14*1-2/h2*3-13H,1-2H3;4-12H,1-3H3;3-11H,1-2H3;2-8H,1H3;14*1-2H3/q4*+1;;;;;;;;;;;;;;;.

What are the key properties of 9-(1,3-dimethylimidazol-1-ium-2-yl)-1-methylcarbazole;1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;ethane;1-methyl-9-(2-methylphenyl)pyrido[2,3-b]indol-1-ium;1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazole;1-(2-methylphenyl)pyrazole?

9-(1,3-dimethylimidazol-1-ium-2-yl)-1-methylcarbazole;1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;ethane;1-methyl-9-(2-methylphenyl)pyrido[2,3-b]indol-1-ium;1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazole;1-(2-methylphenyl)pyrazole has a molecular weight of 1649.59 g/mol, XLogP of 31.01, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(1,3-dimethylimidazol-1-ium-2-yl)-1-methylcarbazole;1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;ethane;1-methyl-9-(2-methylphenyl)pyrido[2,3-b]indol-1-ium;1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazole;1-(2-methylphenyl)pyrazole is sourced from PubChem (CID 159898776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).