2-(6-deuterio-3,9,9-trimethylfluoren-4-yl)-1-methylpyridin-1-ium

C22H22N+ — CID 162063362

IUPAC2-(6-deuterio-3,9,9-trimethylfluoren-4-yl)-1-methylpyridin-1-ium
SMILES[2H]c1ccc2c(c1)-c1c(ccc(C)c1-c1cccc[n+]1C)C2(C)C
InChIInChI=1S/C22H22N/c1-15-12-13-18-21(20(15)19-11-7-8-14-23(19)4)16-9-5-6-10-17(16)22(18,2)3/h5-14H,1-4H3/q+1/i5D
InChIKeyGLTWWAMURCDANX-UICOGKGYSA-N
MW301.43 g/mol
LogP4.79
Rot. Bonds1

About 2-(6-deuterio-3,9,9-trimethylfluoren-4-yl)-1-methylpyridin-1-ium

2-(6-deuterio-3,9,9-trimethylfluoren-4-yl)-1-methylpyridin-1-ium (PubChem CID 162063362) has the molecular formula C22H22N+ and a molecular weight of 301.43 g/mol. Its IUPAC name is 2-(6-deuterio-3,9,9-trimethylfluoren-4-yl)-1-methylpyridin-1-ium.

Molecular Properties

Compound Name2-(6-deuterio-3,9,9-trimethylfluoren-4-yl)-1-methylpyridin-1-ium
PubChem CID162063362
Molecular FormulaC22H22N+
Molecular Weight301.43 g/mol
Exact Mass301.18
IUPAC Name2-(6-deuterio-3,9,9-trimethylfluoren-4-yl)-1-methylpyridin-1-ium
SMILES[2H]c1ccc2c(c1)-c1c(ccc(C)c1-c1cccc[n+]1C)C2(C)C
InChIInChI=1S/C22H22N/c1-15-12-13-18-21(20(15)19-11-7-8-14-23(19)4)16-9-5-6-10-17(16)22(18,2)3/h5-14H,1-4H3/q+1/i5D
InChIKeyGLTWWAMURCDANX-UICOGKGYSA-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'}

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Related Compounds

2-[7-(2-deuteriopropan-2-yl)-3,9,9-trimethylfluoren-4-yl]-1-methylpyridin-1-ium
CID 157123369
1-methyl-2-(6,14,14-trimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-7-yl)pyridin-1-ium
CID 155648798
5-deuterio-1-methyl-2-(2,9,9-trimethylfluoren-1-yl)pyridin-1-ium
CID 161312540
1-methyl-2-(2,5,9,9-tetramethylfluoren-1-yl)pyridin-1-ium
CID 159863789
1-methyl-2-(3,9,9-trimethylxanthen-4-yl)pyridin-1-ium
CID 140839454
1,5-dimethyl-2-(3,6,9,9-tetramethylfluoren-4-yl)pyridin-1-ium;1,5-dimethyl-2-(3,7,9,9-tetramethylfluoren-4-yl)pyridin-1-ium;1,5-dimethyl-2-(3,8,9,9-tetramethylfluoren-4-yl)pyridin-1-ium;2-[3,9-dimethyl-9-(trideuteriomethyl)fluoren-4-yl]-1-methylpyridin-1-ium
CID 160561068
2-(1-deuterio-3,9,9-trimethylfluoren-4-yl)-1,5-dimethylpyridin-1-ium
CID 158548447
1-methyl-2-(3,9,9-trimethyl-1-propan-2-ylfluoren-4-yl)pyridin-1-ium
CID 160596176
1-methyl-2-(1,1,3,3,5-pentamethyl-2H-inden-4-yl)pyridin-1-ium
CID 177075093
1-methyl-2-(3,9,9-trimethylfluoren-2-yl)pyridin-1-ium
CID 59306168
1,5-dimethyl-2-(3,6,9,9-tetramethylfluoren-4-yl)pyridin-1-ium
CID 159213376
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

Frequently Asked Questions

What is the IUPAC name of 2-(6-deuterio-3,9,9-trimethylfluoren-4-yl)-1-methylpyridin-1-ium?
The IUPAC name of 2-(6-deuterio-3,9,9-trimethylfluoren-4-yl)-1-methylpyridin-1-ium (CID 162063362) is 2-(6-deuterio-3,9,9-trimethylfluoren-4-yl)-1-methylpyridin-1-ium.
What is the SMILES notation for 2-(6-deuterio-3,9,9-trimethylfluoren-4-yl)-1-methylpyridin-1-ium?
The canonical SMILES for 2-(6-deuterio-3,9,9-trimethylfluoren-4-yl)-1-methylpyridin-1-ium is [2H]c1ccc2c(c1)-c1c(ccc(C)c1-c1cccc[n+]1C)C2(C)C.
What is the InChIKey of 2-(6-deuterio-3,9,9-trimethylfluoren-4-yl)-1-methylpyridin-1-ium?
The InChIKey is GLTWWAMURCDANX-UICOGKGYSA-N. The full InChI is InChI=1S/C22H22N/c1-15-12-13-18-21(20(15)19-11-7-8-14-23(19)4)16-9-5-6-10-17(16)22(18,2)3/h5-14H,1-4H3/q+1/i5D.
What are the key properties of 2-(6-deuterio-3,9,9-trimethylfluoren-4-yl)-1-methylpyridin-1-ium?
2-(6-deuterio-3,9,9-trimethylfluoren-4-yl)-1-methylpyridin-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 2-(6-deuterio-3,9,9-trimethylfluoren-4-yl)-1-methylpyridin-1-ium is sourced from PubChem (CID 162063362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).