2-(2,6-dimethyl-9H-fluoren-1-yl)-1,4-dimethyl-5-(2-methylpropyl)pyridin-1-ium

C26H30N+ — CID 158886886

IUPAC2-(2,6-dimethyl-9H-fluoren-1-yl)-1,4-dimethyl-5-(2-methylpropyl)pyridin-1-ium
SMILESCc1ccc2c(c1)-c1ccc(C)c(-c3cc(C)c(CC(C)C)c[n+]3C)c1C2
InChIInChI=1S/C26H30N/c1-16(2)11-21-15-27(6)25(13-19(21)5)26-18(4)8-10-22-23-12-17(3)7-9-20(23)14-24(22)26/h7-10,12-13,15-16H,11,14H2,1-6H3/q+1
InChIKeyWIDSWQJUUWNESB-UHFFFAOYSA-N
MW356.53 g/mol
LogP5.87
Rot. Bonds3

About 2-(2,6-dimethyl-9H-fluoren-1-yl)-1,4-dimethyl-5-(2-methylpropyl)pyridin-1-ium

2-(2,6-dimethyl-9H-fluoren-1-yl)-1,4-dimethyl-5-(2-methylpropyl)pyridin-1-ium (PubChem CID 158886886) has the molecular formula C26H30N+ and a molecular weight of 356.53 g/mol. Its IUPAC name is 2-(2,6-dimethyl-9H-fluoren-1-yl)-1,4-dimethyl-5-(2-methylpropyl)pyridin-1-ium.

Molecular Properties

Compound Name2-(2,6-dimethyl-9H-fluoren-1-yl)-1,4-dimethyl-5-(2-methylpropyl)pyridin-1-ium
PubChem CID158886886
Molecular FormulaC26H30N+
Molecular Weight356.53 g/mol
Exact Mass356.24
IUPAC Name2-(2,6-dimethyl-9H-fluoren-1-yl)-1,4-dimethyl-5-(2-methylpropyl)pyridin-1-ium
SMILESCc1ccc2c(c1)-c1ccc(C)c(-c3cc(C)c(CC(C)C)c[n+]3C)c1C2
InChIInChI=1S/C26H30N/c1-16(2)11-21-15-27(6)25(13-19(21)5)26-18(4)8-10-22-23-12-17(3)7-9-20(23)14-24(22)26/h7-10,12-13,15-16H,11,14H2,1-6H3/q+1
InChIKeyWIDSWQJUUWNESB-UHFFFAOYSA-N
XLogP5.87
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.53
LogP ≤ 55.87
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-(2,4-dimethylphenyl)-1,4-dimethyl-5-(2-methylpropyl)pyridin-1-ium
CID 153461119
5-(4,4-dimethylcyclohexyl)-2-(2,6-dimethyl-9H-fluoren-1-yl)-1,4-dimethylpyridin-1-ium
CID 159298690
2-[6-(2,2-dimethylpropyl)-2-methyl-9H-fluoren-1-yl]-1,4,5-trimethylpyridin-1-ium
CID 158397325
4-(4,4-dimethylcyclohexyl)-1,5-dimethyl-2-(2-methyl-9H-fluoren-1-yl)pyridin-1-ium
CID 160606641
2-(2,8-dimethyl-9H-fluoren-1-yl)-1-methyl-4,5-di(propan-2-yl)pyridin-1-ium
CID 158111506
2-(3,8-dimethyldibenzofuran-4-yl)-1,5-dimethyl-4-(2-methylpropyl)pyridin-1-ium
CID 164798168
4-(3,3-dimethylspiro[5.5]undecan-9-yl)-1,5-dimethyl-2-(2-methyl-9H-fluoren-1-yl)pyridin-1-ium
CID 158870300
4-(1-deuteriocyclohexyl)-2-(2,7-dimethyl-9H-fluoren-1-yl)-1-methylpyridin-1-ium;2-(2,7-dimethyl-9H-fluoren-1-yl)-1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium;2-(2,7-dimethyl-9H-fluoren-1-yl)-1-methyl-5-(trideuteriomethyl)pyridin-1-ium
CID 158245259
8-[4-(2-deuteriopropan-2-yl)-1-methyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-7-methyl-9H-indeno[2,1-c]pyridine
CID 159140771
1,4-dimethyl-2-(2-methyl-9H-fluoren-1-yl)-5-spiro[5.5]undecan-3-ylpyridin-1-ium
CID 161398966
3-(2,5-dimethylphenyl)-2-methyl-6-(2-methylpropyl)isoquinolin-2-ium
CID 176592433
4-(1,1-dideuterioethyl)-5-(1,1-dideuterio-2-methylpropyl)-2-(2,4-dimethylphenyl)-1-methylpyridin-1-ium
CID 157469927

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethyl-9H-fluoren-1-yl)-1,4-dimethyl-5-(2-methylpropyl)pyridin-1-ium?
The IUPAC name of 2-(2,6-dimethyl-9H-fluoren-1-yl)-1,4-dimethyl-5-(2-methylpropyl)pyridin-1-ium (CID 158886886) is 2-(2,6-dimethyl-9H-fluoren-1-yl)-1,4-dimethyl-5-(2-methylpropyl)pyridin-1-ium.
What is the SMILES notation for 2-(2,6-dimethyl-9H-fluoren-1-yl)-1,4-dimethyl-5-(2-methylpropyl)pyridin-1-ium?
The canonical SMILES for 2-(2,6-dimethyl-9H-fluoren-1-yl)-1,4-dimethyl-5-(2-methylpropyl)pyridin-1-ium is Cc1ccc2c(c1)-c1ccc(C)c(-c3cc(C)c(CC(C)C)c[n+]3C)c1C2.
What is the InChIKey of 2-(2,6-dimethyl-9H-fluoren-1-yl)-1,4-dimethyl-5-(2-methylpropyl)pyridin-1-ium?
The InChIKey is WIDSWQJUUWNESB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N/c1-16(2)11-21-15-27(6)25(13-19(21)5)26-18(4)8-10-22-23-12-17(3)7-9-20(23)14-24(22)26/h7-10,12-13,15-16H,11,14H2,1-6H3/q+1.
What are the key properties of 2-(2,6-dimethyl-9H-fluoren-1-yl)-1,4-dimethyl-5-(2-methylpropyl)pyridin-1-ium?
2-(2,6-dimethyl-9H-fluoren-1-yl)-1,4-dimethyl-5-(2-methylpropyl)pyridin-1-ium has a molecular weight of 356.53 g/mol, XLogP of 5.87, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethyl-9H-fluoren-1-yl)-1,4-dimethyl-5-(2-methylpropyl)pyridin-1-ium is sourced from PubChem (CID 158886886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).