2-(1-deuterio-3,9,9-trimethylfluoren-4-yl)-1,5-dimethylpyridin-1-ium

C23H24N+ — CID 158548447

IUPAC2-(1-deuterio-3,9,9-trimethylfluoren-4-yl)-1,5-dimethylpyridin-1-ium
SMILES[2H]c1cc(C)c(-c2ccc(C)c[n+]2C)c2c1C(C)(C)c1ccccc1-2
InChIInChI=1S/C23H24N/c1-15-10-13-20(24(5)14-15)21-16(2)11-12-19-22(21)17-8-6-7-9-18(17)23(19,3)4/h6-14H,1-5H3/q+1/i12D
InChIKeySALQSNOTNZELOD-UQBWLURTSA-N
MW315.46 g/mol
LogP5.10
Rot. Bonds1

About 2-(1-deuterio-3,9,9-trimethylfluoren-4-yl)-1,5-dimethylpyridin-1-ium

2-(1-deuterio-3,9,9-trimethylfluoren-4-yl)-1,5-dimethylpyridin-1-ium (PubChem CID 158548447) has the molecular formula C23H24N+ and a molecular weight of 315.46 g/mol. Its IUPAC name is 2-(1-deuterio-3,9,9-trimethylfluoren-4-yl)-1,5-dimethylpyridin-1-ium.

Molecular Properties

Compound Name2-(1-deuterio-3,9,9-trimethylfluoren-4-yl)-1,5-dimethylpyridin-1-ium
PubChem CID158548447
Molecular FormulaC23H24N+
Molecular Weight315.46 g/mol
Exact Mass315.20
IUPAC Name2-(1-deuterio-3,9,9-trimethylfluoren-4-yl)-1,5-dimethylpyridin-1-ium
SMILES[2H]c1cc(C)c(-c2ccc(C)c[n+]2C)c2c1C(C)(C)c1ccccc1-2
InChIInChI=1S/C23H24N/c1-15-10-13-20(24(5)14-15)21-16(2)11-12-19-22(21)17-8-6-7-9-18(17)23(19,3)4/h6-14H,1-5H3/q+1/i12D
InChIKeySALQSNOTNZELOD-UQBWLURTSA-N
XLogP5.10
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.46
LogP ≤ 55.10
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

1,5-dimethyl-2-(3,6,9,9-tetramethylfluoren-4-yl)pyridin-1-ium
CID 159213376
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-(6-deuterio-3,9,9-trimethylfluoren-4-yl)-1-methylpyridin-1-ium
CID 162063362
8-(1,5-dimethylpyridin-1-ium-2-yl)-7,9,9-trimethylfluorene-1-carbonitrile
CID 170252084
1,5-dimethyl-2-(9,11,11-trimethyl-[1]benzofuro[2,3-b]chromen-10-yl)pyridin-1-ium
CID 167317311
5-deuterio-1-methyl-2-(2,9,9-trimethylfluoren-1-yl)pyridin-1-ium
CID 161312540
ethane;4,9,9-trimethylfluorene
CID 123917181
1,5-dimethyl-2-(2,5,5,10,10-pentamethylbenzo[b][1]benzosilin-1-yl)pyridin-1-ium;1,4-dimethyl-2-(2,5,5,10,10-pentamethylbenzo[b][1]benzosilin-1-yl)-5-(trideuteriomethyl)pyridin-1-ium;1-methyl-2-(2,5,5,10,10-pentamethylbenzo[b][1]benzosilin-1-yl)-5-(trideuteriomethyl)pyridin-1-ium;1,4,5-trimethyl-2-(2,5,5,10,10-pentamethylbenzo[b][1]benzosilin-1-yl)pyridin-1-ium
CID 161479909
2-[7-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-2-methyl-7-(1,1,1,2-tetradeuteriopropan-2-yl)fluoreno[4,3-b][1]benzofuran-1-yl]-1-methyl-5-(trideuteriomethyl)pyridin-1-ium
CID 159200392
3,4,5-trideuterio-1,2-dimethyl-6-(2,9,9-trimethylfluoren-3-yl)pyridin-1-ium
CID 157161561
1,5-dimethyl-2-[2-methyl-3-(2-methylphenyl)phenyl]pyridin-1-ium
CID 140920519
2-[3-(1,5-dimethylpyridin-1-ium-2-yl)-2,4,6-trimethylphenyl]-1,5-dimethylpyridin-1-ium
CID 140944282

Frequently Asked Questions

What is the IUPAC name of 2-(1-deuterio-3,9,9-trimethylfluoren-4-yl)-1,5-dimethylpyridin-1-ium?
The IUPAC name of 2-(1-deuterio-3,9,9-trimethylfluoren-4-yl)-1,5-dimethylpyridin-1-ium (CID 158548447) is 2-(1-deuterio-3,9,9-trimethylfluoren-4-yl)-1,5-dimethylpyridin-1-ium.
What is the SMILES notation for 2-(1-deuterio-3,9,9-trimethylfluoren-4-yl)-1,5-dimethylpyridin-1-ium?
The canonical SMILES for 2-(1-deuterio-3,9,9-trimethylfluoren-4-yl)-1,5-dimethylpyridin-1-ium is [2H]c1cc(C)c(-c2ccc(C)c[n+]2C)c2c1C(C)(C)c1ccccc1-2.
What is the InChIKey of 2-(1-deuterio-3,9,9-trimethylfluoren-4-yl)-1,5-dimethylpyridin-1-ium?
The InChIKey is SALQSNOTNZELOD-UQBWLURTSA-N. The full InChI is InChI=1S/C23H24N/c1-15-10-13-20(24(5)14-15)21-16(2)11-12-19-22(21)17-8-6-7-9-18(17)23(19,3)4/h6-14H,1-5H3/q+1/i12D.
What are the key properties of 2-(1-deuterio-3,9,9-trimethylfluoren-4-yl)-1,5-dimethylpyridin-1-ium?
2-(1-deuterio-3,9,9-trimethylfluoren-4-yl)-1,5-dimethylpyridin-1-ium has a molecular weight of 315.46 g/mol, XLogP of 5.10, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-deuterio-3,9,9-trimethylfluoren-4-yl)-1,5-dimethylpyridin-1-ium is sourced from PubChem (CID 158548447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).