1-methyl-9-[1-methyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]carbazole

C20H19N2+ — CID 155616142

IUPAC1-methyl-9-[1-methyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]carbazole
SMILES[2H]C([2H])([2H])c1ccc(-n2c3ccccc3c3cccc(C)c32)[n+](C)c1
InChIInChI=1S/C20H19N2/c1-14-11-12-19(21(3)13-14)22-18-10-5-4-8-16(18)17-9-6-7-15(2)20(17)22/h4-13H,1-3H3/q+1/i1D3
InChIKeyVOFLPDPHBWYFMY-FIBGUPNXSA-N
MW290.40 g/mol
LogP4.23
Rot. Bonds2

About 1-methyl-9-[1-methyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]carbazole

1-methyl-9-[1-methyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]carbazole (PubChem CID 155616142) has the molecular formula C20H19N2+ and a molecular weight of 290.40 g/mol. Its IUPAC name is 1-methyl-9-[1-methyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]carbazole.

Molecular Properties

Compound Name1-methyl-9-[1-methyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]carbazole
PubChem CID155616142
Molecular FormulaC20H19N2+
Molecular Weight290.40 g/mol
Exact Mass290.17
IUPAC Name1-methyl-9-[1-methyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]carbazole
SMILES[2H]C([2H])([2H])c1ccc(-n2c3ccccc3c3cccc(C)c32)[n+](C)c1
InChIInChI=1S/C20H19N2/c1-14-11-12-19(21(3)13-14)22-18-10-5-4-8-16(18)17-9-6-7-15(2)20(17)22/h4-13H,1-3H3/q+1/i1D3
InChIKeyVOFLPDPHBWYFMY-FIBGUPNXSA-N
XLogP4.23
TPSA8.81 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.40
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-5-(1-methylcarbazol-9-yl)-4-azoniapentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaene
CID 176845178
1-methyl-9-(1-methyl-4-propan-2-ylpyridin-1-ium-2-yl)carbazole
CID 140705700
1-methyl-2-(1-methylcarbazol-9-yl)-9-(1-methylpyridin-1-ium-2-yl)pyrido[2,3-b]indol-1-ium
CID 177263811
9-(1,3-dimethylimidazol-1-ium-2-yl)-1-methylcarbazole;ethane;1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazole
CID 160817149
9-[4,6-bis(1-methylcarbazol-9-yl)-1,3,5-triazin-2-yl]-1-methylcarbazole
CID 23399530
9-[1,5-dimethyl-4-(trideuteriomethyl)pyridin-1-ium-2-yl]-1,3-dimethylcarbazol-2-ol
CID 160527495
9-[4-(2,6-dimethylphenyl)-1,5-dimethylpyridin-1-ium-2-yl]-1-methylcarbazole;9-[5-(2,6-dimethylphenyl)-1,4-dimethylpyridin-1-ium-2-yl]-1-methylcarbazole;9-[4-[2,6-di(propan-2-yl)phenyl]-1,5-dimethylpyridin-1-ium-2-yl]-1-methylcarbazole
CID 158431142
6-methyl-5,7-bis(1-methylpyridin-1-ium-2-yl)indolo[2,3-b]carbazole
CID 177263990
9-iodo-1-methylcarbazole
CID 134316149
9-(6-deuterio-1,4-dimethylpyridin-1-ium-2-yl)-1,2,3-trimethylcarbazole
CID 161135803
9-(6-deuterio-1-methylpyridin-1-ium-2-yl)-1,2,6-trimethylcarbazole
CID 158582788
CID 174019962
CID 174019962

Frequently Asked Questions

What is the IUPAC name of 1-methyl-9-[1-methyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]carbazole?
The IUPAC name of 1-methyl-9-[1-methyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]carbazole (CID 155616142) is 1-methyl-9-[1-methyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]carbazole.
What is the SMILES notation for 1-methyl-9-[1-methyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]carbazole?
The canonical SMILES for 1-methyl-9-[1-methyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]carbazole is [2H]C([2H])([2H])c1ccc(-n2c3ccccc3c3cccc(C)c32)[n+](C)c1.
What is the InChIKey of 1-methyl-9-[1-methyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]carbazole?
The InChIKey is VOFLPDPHBWYFMY-FIBGUPNXSA-N. The full InChI is InChI=1S/C20H19N2/c1-14-11-12-19(21(3)13-14)22-18-10-5-4-8-16(18)17-9-6-7-15(2)20(17)22/h4-13H,1-3H3/q+1/i1D3.
What are the key properties of 1-methyl-9-[1-methyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]carbazole?
1-methyl-9-[1-methyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]carbazole has a molecular weight of 290.40 g/mol, XLogP of 4.23, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-9-[1-methyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]carbazole is sourced from PubChem (CID 155616142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).