9-[1,5-dimethyl-4-(trideuteriomethyl)pyridin-1-ium-2-yl]-1,3-dimethylcarbazol-2-ol

C22H23N2O+ — CID 160527495

IUPAC9-[1,5-dimethyl-4-(trideuteriomethyl)pyridin-1-ium-2-yl]-1,3-dimethylcarbazol-2-ol
SMILES[2H]C([2H])([2H])c1cc(-n2c3ccccc3c3cc(C)c(O)c(C)c32)[n+](C)cc1C
InChIInChI=1S/C22H22N2O/c1-13-11-20(23(5)12-15(13)3)24-19-9-7-6-8-17(19)18-10-14(2)22(25)16(4)21(18)24/h6-12H,1-5H3/p+1/i1D3
InChIKeyQIZWAKKNYFIEPG-FIBGUPNXSA-O
MW334.46 g/mol
LogP4.55
Rot. Bonds2

About 9-[1,5-dimethyl-4-(trideuteriomethyl)pyridin-1-ium-2-yl]-1,3-dimethylcarbazol-2-ol

9-[1,5-dimethyl-4-(trideuteriomethyl)pyridin-1-ium-2-yl]-1,3-dimethylcarbazol-2-ol (PubChem CID 160527495) has the molecular formula C22H23N2O+ and a molecular weight of 334.46 g/mol. Its IUPAC name is 9-[1,5-dimethyl-4-(trideuteriomethyl)pyridin-1-ium-2-yl]-1,3-dimethylcarbazol-2-ol.

Molecular Properties

Compound Name9-[1,5-dimethyl-4-(trideuteriomethyl)pyridin-1-ium-2-yl]-1,3-dimethylcarbazol-2-ol
PubChem CID160527495
Molecular FormulaC22H23N2O+
Molecular Weight334.46 g/mol
Exact Mass334.20
IUPAC Name9-[1,5-dimethyl-4-(trideuteriomethyl)pyridin-1-ium-2-yl]-1,3-dimethylcarbazol-2-ol
SMILES[2H]C([2H])([2H])c1cc(-n2c3ccccc3c3cc(C)c(O)c(C)c32)[n+](C)cc1C
InChIInChI=1S/C22H22N2O/c1-13-11-20(23(5)12-15(13)3)24-19-9-7-6-8-17(19)18-10-14(2)22(25)16(4)21(18)24/h6-12H,1-5H3/p+1/i1D3
InChIKeyQIZWAKKNYFIEPG-FIBGUPNXSA-O
XLogP4.55
TPSA29.04 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,3-dimethyl-9-(1-methylpyridin-1-ium-2-yl)carbazol-2-ol
CID 158408043
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-methyl-9-[1-methyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]carbazole
CID 155616142
6,8-dimethyl-9-(1-methylpyridin-1-ium-2-yl)pyrido[2,3-b]indol-7-ol
CID 158341161
1,3,6,7-tetramethyl-5-(1,4,5-trimethylpyridin-1-ium-2-yl)pyrido[4,3-b]indole
CID 159837794
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
4-methyl-5-[1-methyl-4,5-bis(trideuteriomethyl)pyridin-1-ium-2-yl]-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 165161149
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
2-tert-butyl-9-(4-carbazol-9-yl-1-methylpyridin-1-ium-2-yl)-1-methylcarbazole
CID 155769608
9-(6-deuterio-1-methylpyridin-1-ium-2-yl)-1,2,6-trimethylcarbazole
CID 158582788

Frequently Asked Questions

What is the IUPAC name of 9-[1,5-dimethyl-4-(trideuteriomethyl)pyridin-1-ium-2-yl]-1,3-dimethylcarbazol-2-ol?
The IUPAC name of 9-[1,5-dimethyl-4-(trideuteriomethyl)pyridin-1-ium-2-yl]-1,3-dimethylcarbazol-2-ol (CID 160527495) is 9-[1,5-dimethyl-4-(trideuteriomethyl)pyridin-1-ium-2-yl]-1,3-dimethylcarbazol-2-ol.
What is the SMILES notation for 9-[1,5-dimethyl-4-(trideuteriomethyl)pyridin-1-ium-2-yl]-1,3-dimethylcarbazol-2-ol?
The canonical SMILES for 9-[1,5-dimethyl-4-(trideuteriomethyl)pyridin-1-ium-2-yl]-1,3-dimethylcarbazol-2-ol is [2H]C([2H])([2H])c1cc(-n2c3ccccc3c3cc(C)c(O)c(C)c32)[n+](C)cc1C.
What is the InChIKey of 9-[1,5-dimethyl-4-(trideuteriomethyl)pyridin-1-ium-2-yl]-1,3-dimethylcarbazol-2-ol?
The InChIKey is QIZWAKKNYFIEPG-FIBGUPNXSA-O. The full InChI is InChI=1S/C22H22N2O/c1-13-11-20(23(5)12-15(13)3)24-19-9-7-6-8-17(19)18-10-14(2)22(25)16(4)21(18)24/h6-12H,1-5H3/p+1/i1D3.
What are the key properties of 9-[1,5-dimethyl-4-(trideuteriomethyl)pyridin-1-ium-2-yl]-1,3-dimethylcarbazol-2-ol?
9-[1,5-dimethyl-4-(trideuteriomethyl)pyridin-1-ium-2-yl]-1,3-dimethylcarbazol-2-ol has a molecular weight of 334.46 g/mol, XLogP of 4.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[1,5-dimethyl-4-(trideuteriomethyl)pyridin-1-ium-2-yl]-1,3-dimethylcarbazol-2-ol is sourced from PubChem (CID 160527495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).