9-(6-deuterio-1-methylpyridin-1-ium-2-yl)-1,2,6-trimethylcarbazole

C21H21N2+ — CID 158582788

IUPAC9-(6-deuterio-1-methylpyridin-1-ium-2-yl)-1,2,6-trimethylcarbazole
SMILES[2H]c1cccc(-n2c3ccc(C)cc3c3ccc(C)c(C)c32)[n+]1C
InChIInChI=1S/C21H21N2/c1-14-8-11-19-18(13-14)17-10-9-15(2)16(3)21(17)23(19)20-7-5-6-12-22(20)4/h5-13H,1-4H3/q+1/i12D
InChIKeyVVVAKWVJNOWYDV-UQBWLURTSA-N
MW302.42 g/mol
LogP4.53
Rot. Bonds1

About 9-(6-deuterio-1-methylpyridin-1-ium-2-yl)-1,2,6-trimethylcarbazole

9-(6-deuterio-1-methylpyridin-1-ium-2-yl)-1,2,6-trimethylcarbazole (PubChem CID 158582788) has the molecular formula C21H21N2+ and a molecular weight of 302.42 g/mol. Its IUPAC name is 9-(6-deuterio-1-methylpyridin-1-ium-2-yl)-1,2,6-trimethylcarbazole.

Molecular Properties

Compound Name9-(6-deuterio-1-methylpyridin-1-ium-2-yl)-1,2,6-trimethylcarbazole
PubChem CID158582788
Molecular FormulaC21H21N2+
Molecular Weight302.42 g/mol
Exact Mass302.18
IUPAC Name9-(6-deuterio-1-methylpyridin-1-ium-2-yl)-1,2,6-trimethylcarbazole
SMILES[2H]c1cccc(-n2c3ccc(C)cc3c3ccc(C)c(C)c32)[n+]1C
InChIInChI=1S/C21H21N2/c1-14-8-11-19-18(13-14)17-10-9-15(2)16(3)21(17)23(19)20-7-5-6-12-22(20)4/h5-13H,1-4H3/q+1/i12D
InChIKeyVVVAKWVJNOWYDV-UQBWLURTSA-N
XLogP4.53
TPSA8.81 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 54.53
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

9-(6-deuterio-1,4-dimethylpyridin-1-ium-2-yl)-1,2,3-trimethylcarbazole
CID 161135803
6-methyl-5,7-bis(1-methylpyridin-1-ium-2-yl)indolo[2,3-b]carbazole
CID 177263990
1,3-dimethyl-9-(1-methylpyridin-1-ium-2-yl)carbazol-2-ol
CID 158408043
1-methyl-9-[1-methyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]carbazole
CID 155616142
1-methyl-2-(1-methylcarbazol-9-yl)-9-(1-methylpyridin-1-ium-2-yl)pyrido[2,3-b]indol-1-ium
CID 177263811
9-[1,5-dimethyl-4-(trideuteriomethyl)pyridin-1-ium-2-yl]-1,3-dimethylcarbazol-2-ol
CID 160527495
3-deuterio-2,6-dimethyl-1-(2-methylphenyl)isoquinolin-2-ium
CID 155638697
3-methyl-9-[2-(3-methylcarbazol-9-yl)phenyl]carbazole
CID 58771355
1,3,6,7-tetramethyl-5-(1,4,5-trimethylpyridin-1-ium-2-yl)pyrido[4,3-b]indole
CID 159837794
3-methyl-9-oxidocarbazole
CID 166517305
5-methyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 59221908
2-methyl-9-phenylcarbazole;3-methyl-9-phenylcarbazole
CID 159508303

Frequently Asked Questions

What is the IUPAC name of 9-(6-deuterio-1-methylpyridin-1-ium-2-yl)-1,2,6-trimethylcarbazole?
The IUPAC name of 9-(6-deuterio-1-methylpyridin-1-ium-2-yl)-1,2,6-trimethylcarbazole (CID 158582788) is 9-(6-deuterio-1-methylpyridin-1-ium-2-yl)-1,2,6-trimethylcarbazole.
What is the SMILES notation for 9-(6-deuterio-1-methylpyridin-1-ium-2-yl)-1,2,6-trimethylcarbazole?
The canonical SMILES for 9-(6-deuterio-1-methylpyridin-1-ium-2-yl)-1,2,6-trimethylcarbazole is [2H]c1cccc(-n2c3ccc(C)cc3c3ccc(C)c(C)c32)[n+]1C.
What is the InChIKey of 9-(6-deuterio-1-methylpyridin-1-ium-2-yl)-1,2,6-trimethylcarbazole?
The InChIKey is VVVAKWVJNOWYDV-UQBWLURTSA-N. The full InChI is InChI=1S/C21H21N2/c1-14-8-11-19-18(13-14)17-10-9-15(2)16(3)21(17)23(19)20-7-5-6-12-22(20)4/h5-13H,1-4H3/q+1/i12D.
What are the key properties of 9-(6-deuterio-1-methylpyridin-1-ium-2-yl)-1,2,6-trimethylcarbazole?
9-(6-deuterio-1-methylpyridin-1-ium-2-yl)-1,2,6-trimethylcarbazole has a molecular weight of 302.42 g/mol, XLogP of 4.53, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(6-deuterio-1-methylpyridin-1-ium-2-yl)-1,2,6-trimethylcarbazole is sourced from PubChem (CID 158582788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).