5-deuterio-1-methyl-2-(2,9,9-trimethylfluoren-1-yl)pyridin-1-ium

C22H22N+ — CID 161312540

IUPAC5-deuterio-1-methyl-2-(2,9,9-trimethylfluoren-1-yl)pyridin-1-ium
SMILES[2H]c1ccc(-c2c(C)ccc3c2C(C)(C)c2ccccc2-3)[n+](C)c1
InChIInChI=1S/C22H22N/c1-15-12-13-17-16-9-5-6-10-18(16)22(2,3)21(17)20(15)19-11-7-8-14-23(19)4/h5-14H,1-4H3/q+1/i8D
InChIKeyRAMZFXHRTYGZNZ-BNEYPBHNSA-N
MW301.43 g/mol
LogP4.79
Rot. Bonds1

About 5-deuterio-1-methyl-2-(2,9,9-trimethylfluoren-1-yl)pyridin-1-ium

5-deuterio-1-methyl-2-(2,9,9-trimethylfluoren-1-yl)pyridin-1-ium (PubChem CID 161312540) has the molecular formula C22H22N+ and a molecular weight of 301.43 g/mol. Its IUPAC name is 5-deuterio-1-methyl-2-(2,9,9-trimethylfluoren-1-yl)pyridin-1-ium.

Molecular Properties

Compound Name5-deuterio-1-methyl-2-(2,9,9-trimethylfluoren-1-yl)pyridin-1-ium
PubChem CID161312540
Molecular FormulaC22H22N+
Molecular Weight301.43 g/mol
Exact Mass301.18
IUPAC Name5-deuterio-1-methyl-2-(2,9,9-trimethylfluoren-1-yl)pyridin-1-ium
SMILES[2H]c1ccc(-c2c(C)ccc3c2C(C)(C)c2ccccc2-3)[n+](C)c1
InChIInChI=1S/C22H22N/c1-15-12-13-17-16-9-5-6-10-18(16)22(2,3)21(17)20(15)19-11-7-8-14-23(19)4/h5-14H,1-4H3/q+1/i8D
InChIKeyRAMZFXHRTYGZNZ-BNEYPBHNSA-N
XLogP4.79
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 5-deuterio-1-methyl-2-(2,9,9-trimethylfluoren-1-yl)pyridin-1-ium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methyl-2-(2,5,9,9-tetramethylfluoren-1-yl)pyridin-1-ium
CID 159863789
1-methyl-4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-(2,9,9-trimethylfluoren-1-yl)pyridin-1-ium
CID 158916879
2-(6-deuterio-3,9,9-trimethylfluoren-4-yl)-1-methylpyridin-1-ium
CID 162063362
2,9,9-trimethyl-1-(2-methylphenyl)fluorene
CID 145007121
2-(8-isocyano-2,9,9-trimethylfluoren-1-yl)-1-methylpyridin-1-ium
CID 154615538
1-methyl-2-(2,9,9-trimethylfluoren-1-yl)quinolin-1-ium
CID 164787286
7,9,9-trimethyl-8-(1-methylpyridin-1-ium-2-yl)-1-phenylfluorene-2-carbonitrile
CID 167365822
2,9,9-trimethylfluoren-1-amine
CID 142604621
6,20,20-trimethyl-7-(1-methylpyridin-1-ium-2-yl)-9-oxa-11-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14,16,18-nonaene
CID 154007172
1,6,9-trimethyl-6-azoniapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 140907972
3-fluoro-1-methyl-2-(2,9,9-trimethylfluoren-1-yl)pyridin-1-ium;4-fluoro-1-methyl-2-(2,9,9-trimethylfluoren-1-yl)pyridin-1-ium;5-fluoro-1-methyl-2-(2,9,9-trimethylfluoren-1-yl)pyridin-1-ium;1-methyl-4-propan-2-yl-2-(2,9,9-trimethylfluoren-1-yl)pyridin-1-ium;1-methyl-5-propan-2-yl-2-(2,9,9-trimethylfluoren-1-yl)pyridin-1-ium
CID 159345876
5-(2-deuteriopropan-2-yl)-1-methyl-2-(2,9,9-trimethylfluoren-1-yl)pyridin-1-ium;5-(1,1-dideuterioethyl)-1-methyl-2-(2,9,9-trimethylfluoren-1-yl)pyridin-1-ium;4-ethyl-1-methyl-2-(2,9,9-trimethylfluoren-1-yl)pyridin-1-ium;5-ethyl-1-methyl-2-(2,9,9-trimethylfluoren-1-yl)pyridin-1-ium;1-methyl-4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-(2,9,9-trimethylfluoren-1-yl)pyridin-1-ium
CID 158916874

Frequently Asked Questions

What is the IUPAC name of 5-deuterio-1-methyl-2-(2,9,9-trimethylfluoren-1-yl)pyridin-1-ium?
The IUPAC name of 5-deuterio-1-methyl-2-(2,9,9-trimethylfluoren-1-yl)pyridin-1-ium (CID 161312540) is 5-deuterio-1-methyl-2-(2,9,9-trimethylfluoren-1-yl)pyridin-1-ium.
What is the SMILES notation for 5-deuterio-1-methyl-2-(2,9,9-trimethylfluoren-1-yl)pyridin-1-ium?
The canonical SMILES for 5-deuterio-1-methyl-2-(2,9,9-trimethylfluoren-1-yl)pyridin-1-ium is [2H]c1ccc(-c2c(C)ccc3c2C(C)(C)c2ccccc2-3)[n+](C)c1.
What is the InChIKey of 5-deuterio-1-methyl-2-(2,9,9-trimethylfluoren-1-yl)pyridin-1-ium?
The InChIKey is RAMZFXHRTYGZNZ-BNEYPBHNSA-N. The full InChI is InChI=1S/C22H22N/c1-15-12-13-17-16-9-5-6-10-18(16)22(2,3)21(17)20(15)19-11-7-8-14-23(19)4/h5-14H,1-4H3/q+1/i8D.
What are the key properties of 5-deuterio-1-methyl-2-(2,9,9-trimethylfluoren-1-yl)pyridin-1-ium?
5-deuterio-1-methyl-2-(2,9,9-trimethylfluoren-1-yl)pyridin-1-ium has a molecular weight of 301.43 g/mol, XLogP of 4.79, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-deuterio-1-methyl-2-(2,9,9-trimethylfluoren-1-yl)pyridin-1-ium is sourced from PubChem (CID 161312540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).