9-(6-deuterio-1,4-dimethylpyridin-1-ium-2-yl)-1,2,3-trimethylcarbazole

C22H23N2+ — CID 161135803

IUPAC9-(6-deuterio-1,4-dimethylpyridin-1-ium-2-yl)-1,2,3-trimethylcarbazole
SMILES[2H]c1cc(C)cc(-n2c3ccccc3c3cc(C)c(C)c(C)c32)[n+]1C
InChIInChI=1S/C22H23N2/c1-14-10-11-23(5)21(12-14)24-20-9-7-6-8-18(20)19-13-15(2)16(3)17(4)22(19)24/h6-13H,1-5H3/q+1/i11D
InChIKeyIQIBQFNEUCJJPL-WORMITQPSA-N
MW316.45 g/mol
LogP4.84
Rot. Bonds1

About 9-(6-deuterio-1,4-dimethylpyridin-1-ium-2-yl)-1,2,3-trimethylcarbazole

9-(6-deuterio-1,4-dimethylpyridin-1-ium-2-yl)-1,2,3-trimethylcarbazole (PubChem CID 161135803) has the molecular formula C22H23N2+ and a molecular weight of 316.45 g/mol. Its IUPAC name is 9-(6-deuterio-1,4-dimethylpyridin-1-ium-2-yl)-1,2,3-trimethylcarbazole.

Molecular Properties

Compound Name9-(6-deuterio-1,4-dimethylpyridin-1-ium-2-yl)-1,2,3-trimethylcarbazole
PubChem CID161135803
Molecular FormulaC22H23N2+
Molecular Weight316.45 g/mol
Exact Mass316.19
IUPAC Name9-(6-deuterio-1,4-dimethylpyridin-1-ium-2-yl)-1,2,3-trimethylcarbazole
SMILES[2H]c1cc(C)cc(-n2c3ccccc3c3cc(C)c(C)c(C)c32)[n+]1C
InChIInChI=1S/C22H23N2/c1-14-10-11-23(5)21(12-14)24-20-9-7-6-8-18(20)19-13-15(2)16(3)17(4)22(19)24/h6-13H,1-5H3/q+1/i11D
InChIKeyIQIBQFNEUCJJPL-WORMITQPSA-N
XLogP4.84
TPSA8.81 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 54.84
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-methylpyridin-1-ium-2-yl)-1,2,6-trimethylcarbazole
CID 158582788
9-[1,5-dimethyl-4-(trideuteriomethyl)pyridin-1-ium-2-yl]-1,3-dimethylcarbazol-2-ol
CID 160527495
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-9-(1-methyl-4-propan-2-ylpyridin-1-ium-2-yl)carbazole
CID 140705700
2-tert-butyl-9-(4-carbazol-9-yl-1-methylpyridin-1-ium-2-yl)-1-methylcarbazole
CID 155769608
9-(2,4-dimethylphenyl)-1,3-dimethylcarbazole
CID 146638363
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
2-tert-butyl-9-(4-carbazol-9-yl-1-methylpyridin-1-ium-2-yl)-1-methyl-6-phenylcarbazole
CID 155769690
[4-carbazol-9-yl-2-methyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium-6-yl]-trimethylsilane
CID 171459391
3-methyl-9-[2-(3-methylcarbazol-9-yl)phenyl]carbazole
CID 58771355

Frequently Asked Questions

What is the IUPAC name of 9-(6-deuterio-1,4-dimethylpyridin-1-ium-2-yl)-1,2,3-trimethylcarbazole?
The IUPAC name of 9-(6-deuterio-1,4-dimethylpyridin-1-ium-2-yl)-1,2,3-trimethylcarbazole (CID 161135803) is 9-(6-deuterio-1,4-dimethylpyridin-1-ium-2-yl)-1,2,3-trimethylcarbazole.
What is the SMILES notation for 9-(6-deuterio-1,4-dimethylpyridin-1-ium-2-yl)-1,2,3-trimethylcarbazole?
The canonical SMILES for 9-(6-deuterio-1,4-dimethylpyridin-1-ium-2-yl)-1,2,3-trimethylcarbazole is [2H]c1cc(C)cc(-n2c3ccccc3c3cc(C)c(C)c(C)c32)[n+]1C.
What is the InChIKey of 9-(6-deuterio-1,4-dimethylpyridin-1-ium-2-yl)-1,2,3-trimethylcarbazole?
The InChIKey is IQIBQFNEUCJJPL-WORMITQPSA-N. The full InChI is InChI=1S/C22H23N2/c1-14-10-11-23(5)21(12-14)24-20-9-7-6-8-18(20)19-13-15(2)16(3)17(4)22(19)24/h6-13H,1-5H3/q+1/i11D.
What are the key properties of 9-(6-deuterio-1,4-dimethylpyridin-1-ium-2-yl)-1,2,3-trimethylcarbazole?
9-(6-deuterio-1,4-dimethylpyridin-1-ium-2-yl)-1,2,3-trimethylcarbazole has a molecular weight of 316.45 g/mol, XLogP of 4.84, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(6-deuterio-1,4-dimethylpyridin-1-ium-2-yl)-1,2,3-trimethylcarbazole is sourced from PubChem (CID 161135803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).