9-(1,3-dimethylimidazol-1-ium-2-yl)-1-methylcarbazole;ethane;1-methyl-9-(2-methylphenyl)carbazole;1-methyl-2-(2-methylphenyl)-3-phenylpyrazol-1-ium;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazole;(3S)-2,3,5-trimethyl-3H-imidazo[1,5-f]phenanthridine

C137H202N12+4 — CID 161128781

IUPAC9-(1,3-dimethylimidazol-1-ium-2-yl)-1-methylcarbazole;ethane;1-methyl-9-(2-methylphenyl)carbazole;1-methyl-2-(2-methylphenyl)-3-phenylpyrazol-1-ium;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazole;(3S)-2,3,5-trimethyl-3H-imidazo[1,5-f]phenanthridine
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1cccc2c1N1C(=CN(C)[C@@H]1C)c1ccccc1-2.Cc1cccc2c3ccccc3n(-c3cccc[n+]3C)c12.Cc1cccc2c3ccccc3n(-c3n(C)cc[n+]3C)c12.Cc1ccccc1-n1c(-c2ccccc2)cc[n+]1C.Cc1ccccc1-n1c2ccccc2c2cccc(C)c21.Cc1ccccc1-n1ccc[n+]1C
InChIInChI=1S/C20H17N.C19H17N2.C18H18N3.C18H18N2.C17H17N2.C11H13N2.17C2H6/c1-14-8-3-5-12-18(14)21-19-13-6-4-10-16(19)17-11-7-9-15(2)20(17)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;1-12-7-6-10-16-14-8-4-5-9-15(14)17-11-19(3)13(2)20(17)18(12)16;1-14-8-6-7-11-16(14)19-17(12-13-18(19)2)15-9-4-3-5-10-15;1-10-6-3-4-7-11(10)13-9-5-8-12(13)2;17*1-2/h2*3-13H,1-2H3;4-12H,1-3H3;4-11,13H,1-3H3;3-13H,1-2H3;3-9H,1-2H3;17*1-2H3/q;2*+1;;2*+1;;;;;;;;;;;;;;;;;/t;;;13-;;;;;;;;;;;;;;;;;;;/m...0.................../s1
InChIKeyORPCSKJFKRWALJ-JKTAUIGPSA-N
MW2017.21 g/mol
LogP38.98
Rot. Bonds6

About 9-(1,3-dimethylimidazol-1-ium-2-yl)-1-methylcarbazole;ethane;1-methyl-9-(2-methylphenyl)carbazole;1-methyl-2-(2-methylphenyl)-3-phenylpyrazol-1-ium;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazole;(3S)-2,3,5-trimethyl-3H-imidazo[1,5-f]phenanthridine

9-(1,3-dimethylimidazol-1-ium-2-yl)-1-methylcarbazole;ethane;1-methyl-9-(2-methylphenyl)carbazole;1-methyl-2-(2-methylphenyl)-3-phenylpyrazol-1-ium;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazole;(3S)-2,3,5-trimethyl-3H-imidazo[1,5-f]phenanthridine (PubChem CID 161128781) has the molecular formula C137H202N12+4 and a molecular weight of 2017.21 g/mol. Its IUPAC name is 9-(1,3-dimethylimidazol-1-ium-2-yl)-1-methylcarbazole;ethane;1-methyl-9-(2-methylphenyl)carbazole;1-methyl-2-(2-methylphenyl)-3-phenylpyrazol-1-ium;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazole;(3S)-2,3,5-trimethyl-3H-imidazo[1,5-f]phenanthridine.

Molecular Properties

Compound Name9-(1,3-dimethylimidazol-1-ium-2-yl)-1-methylcarbazole;ethane;1-methyl-9-(2-methylphenyl)carbazole;1-methyl-2-(2-methylphenyl)-3-phenylpyrazol-1-ium;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazole;(3S)-2,3,5-trimethyl-3H-imidazo[1,5-f]phenanthridine
PubChem CID161128781
Molecular FormulaC137H202N12+4
Molecular Weight2017.21 g/mol
Exact Mass2015.62
IUPAC Name9-(1,3-dimethylimidazol-1-ium-2-yl)-1-methylcarbazole;ethane;1-methyl-9-(2-methylphenyl)carbazole;1-methyl-2-(2-methylphenyl)-3-phenylpyrazol-1-ium;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazole;(3S)-2,3,5-trimethyl-3H-imidazo[1,5-f]phenanthridine
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1cccc2c1N1C(=CN(C)[C@@H]1C)c1ccccc1-2.Cc1cccc2c3ccccc3n(-c3cccc[n+]3C)c12.Cc1cccc2c3ccccc3n(-c3n(C)cc[n+]3C)c12.Cc1ccccc1-n1c(-c2ccccc2)cc[n+]1C.Cc1ccccc1-n1c2ccccc2c2cccc(C)c21.Cc1ccccc1-n1ccc[n+]1C
InChIInChI=1S/C20H17N.C19H17N2.C18H18N3.C18H18N2.C17H17N2.C11H13N2.17C2H6/c1-14-8-3-5-12-18(14)21-19-13-6-4-10-16(19)17-11-7-9-15(2)20(17)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;1-12-7-6-10-16-14-8-4-5-9-15(14)17-11-19(3)13(2)20(17)18(12)16;1-14-8-6-7-11-16(14)19-17(12-13-18(19)2)15-9-4-3-5-10-15;1-10-6-3-4-7-11(10)13-9-5-8-12(13)2;17*1-2/h2*3-13H,1-2H3;4-12H,1-3H3;4-11,13H,1-3H3;3-13H,1-2H3;3-9H,1-2H3;17*1-2H3/q;2*+1;;2*+1;;;;;;;;;;;;;;;;;/t;;;13-;;;;;;;;;;;;;;;;;;;/m...0.................../s1
InChIKeyORPCSKJFKRWALJ-JKTAUIGPSA-N
XLogP38.98
TPSA51.58 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms149
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002017.21
LogP ≤ 538.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 9-(1,3-dimethylimidazol-1-ium-2-yl)-1-methylcarbazole;ethane;1-methyl-9-(2-methylphenyl)carbazole;1-methyl-2-(2-methylphenyl)-3-phenylpyrazol-1-ium;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazole;(3S)-2,3,5-trimethyl-3H-imidazo[1,5-f]phenanthridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-(1,3-dimethylimidazol-1-ium-2-yl)-1-methylcarbazole;ethane;1-methyl-9-(2-methylphenyl)carbazole;1-methyl-2-(2-methylphenyl)-3-phenylpyrazol-1-ium;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazole;(3S)-2,3,5-trimethyl-3H-imidazo[1,5-f]phenanthridine?
The IUPAC name of 9-(1,3-dimethylimidazol-1-ium-2-yl)-1-methylcarbazole;ethane;1-methyl-9-(2-methylphenyl)carbazole;1-methyl-2-(2-methylphenyl)-3-phenylpyrazol-1-ium;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazole;(3S)-2,3,5-trimethyl-3H-imidazo[1,5-f]phenanthridine (CID 161128781) is 9-(1,3-dimethylimidazol-1-ium-2-yl)-1-methylcarbazole;ethane;1-methyl-9-(2-methylphenyl)carbazole;1-methyl-2-(2-methylphenyl)-3-phenylpyrazol-1-ium;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazole;(3S)-2,3,5-trimethyl-3H-imidazo[1,5-f]phenanthridine.
What is the SMILES notation for 9-(1,3-dimethylimidazol-1-ium-2-yl)-1-methylcarbazole;ethane;1-methyl-9-(2-methylphenyl)carbazole;1-methyl-2-(2-methylphenyl)-3-phenylpyrazol-1-ium;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazole;(3S)-2,3,5-trimethyl-3H-imidazo[1,5-f]phenanthridine?
The canonical SMILES for 9-(1,3-dimethylimidazol-1-ium-2-yl)-1-methylcarbazole;ethane;1-methyl-9-(2-methylphenyl)carbazole;1-methyl-2-(2-methylphenyl)-3-phenylpyrazol-1-ium;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazole;(3S)-2,3,5-trimethyl-3H-imidazo[1,5-f]phenanthridine is 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.Cc1cccc2c3ccccc3n(-c3cccc[n+]3C)c12.Cc1cccc2c3ccccc3n(-c3n(C)cc[n+]3C)c12.Cc1ccccc1-n1c(-c2ccccc2)cc[n+]1C.Cc1ccccc1-n1c2ccccc2c2cccc(C)c21.Cc1ccccc1-n1ccc[n+]1C.
What is the InChIKey of 9-(1,3-dimethylimidazol-1-ium-2-yl)-1-methylcarbazole;ethane;1-methyl-9-(2-methylphenyl)carbazole;1-methyl-2-(2-methylphenyl)-3-phenylpyrazol-1-ium;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazole;(3S)-2,3,5-trimethyl-3H-imidazo[1,5-f]phenanthridine?
The InChIKey is ORPCSKJFKRWALJ-JKTAUIGPSA-N. The full InChI is InChI=1S/C20H17N.C19H17N2.C18H18N3.C18H18N2.C17H17N2.C11H13N2.17C2H6/c1-14-8-3-5-12-18(14)21-19-13-6-4-10-16(19)17-11-7-9-15(2)20(17)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;1-12-7-6-10-16-14-8-4-5-9-15(14)17-11-19(3)13(2)20(17)18(12)16;1-14-8-6-7-11-16(14)19-17(12-13-18(19)2)15-9-4-3-5-10-15;1-10-6-3-4-7-11(10)13-9-5-8-12(13)2;17*1-2/h2*3-13H,1-2H3;4-12H,1-3H3;4-11,13H,1-3H3;3-13H,1-2H3;3-9H,1-2H3;17*1-2H3/q;2*+1;;2*+1;;;;;;;;;;;;;;;;;/t;;;13-;;;;;;;;;;;;;;;;;;;/m...0.................../s1.
What are the key properties of 9-(1,3-dimethylimidazol-1-ium-2-yl)-1-methylcarbazole;ethane;1-methyl-9-(2-methylphenyl)carbazole;1-methyl-2-(2-methylphenyl)-3-phenylpyrazol-1-ium;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazole;(3S)-2,3,5-trimethyl-3H-imidazo[1,5-f]phenanthridine?
9-(1,3-dimethylimidazol-1-ium-2-yl)-1-methylcarbazole;ethane;1-methyl-9-(2-methylphenyl)carbazole;1-methyl-2-(2-methylphenyl)-3-phenylpyrazol-1-ium;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazole;(3S)-2,3,5-trimethyl-3H-imidazo[1,5-f]phenanthridine has a molecular weight of 2017.21 g/mol, XLogP of 38.98, 6 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;ethane;1-methyl-9-(2-methylphenyl)carbazole;1-methyl-2-(2-methylphenyl)-3-phenylpyrazol-1-ium;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazole;(3S)-2,3,5-trimethyl-3H-imidazo[1,5-f]phenanthridine is sourced from PubChem (CID 161128781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).