5-cyclohexyl-2-(2,4-dimethyl-9H-fluoren-1-yl)-1,4-dimethylpyridin-1-ium

C28H32N+ — CID 158316417

IUPAC5-cyclohexyl-2-(2,4-dimethyl-9H-fluoren-1-yl)-1,4-dimethylpyridin-1-ium
SMILESCc1cc(-c2c(C)cc(C)c3c2Cc2ccccc2-3)[n+](C)cc1C1CCCCC1
InChIInChI=1S/C28H32N/c1-18-15-26(29(4)17-25(18)21-10-6-5-7-11-21)28-20(3)14-19(2)27-23-13-9-8-12-22(23)16-24(27)28/h8-9,12-15,17,21H,5-7,10-11,16H2,1-4H3/q+1
InChIKeyHYTOVAQIGBPZIO-UHFFFAOYSA-N
MW382.57 g/mol
LogP6.72
Rot. Bonds2

About 5-cyclohexyl-2-(2,4-dimethyl-9H-fluoren-1-yl)-1,4-dimethylpyridin-1-ium

5-cyclohexyl-2-(2,4-dimethyl-9H-fluoren-1-yl)-1,4-dimethylpyridin-1-ium (PubChem CID 158316417) has the molecular formula C28H32N+ and a molecular weight of 382.57 g/mol. Its IUPAC name is 5-cyclohexyl-2-(2,4-dimethyl-9H-fluoren-1-yl)-1,4-dimethylpyridin-1-ium.

Molecular Properties

Compound Name5-cyclohexyl-2-(2,4-dimethyl-9H-fluoren-1-yl)-1,4-dimethylpyridin-1-ium
PubChem CID158316417
Molecular FormulaC28H32N+
Molecular Weight382.57 g/mol
Exact Mass382.25
IUPAC Name5-cyclohexyl-2-(2,4-dimethyl-9H-fluoren-1-yl)-1,4-dimethylpyridin-1-ium
SMILESCc1cc(-c2c(C)cc(C)c3c2Cc2ccccc2-3)[n+](C)cc1C1CCCCC1
InChIInChI=1S/C28H32N/c1-18-15-26(29(4)17-25(18)21-10-6-5-7-11-21)28-20(3)14-19(2)27-23-13-9-8-12-22(23)16-24(27)28/h8-9,12-15,17,21H,5-7,10-11,16H2,1-4H3/q+1
InChIKeyHYTOVAQIGBPZIO-UHFFFAOYSA-N
XLogP6.72
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.57
LogP ≤ 56.72
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

1,4-dimethyl-2-(2-methyl-9H-fluoren-1-yl)-5-spiro[5.5]undecan-3-ylpyridin-1-ium
CID 161398966
2-(4-cyclohexyl-2-methyl-9H-fluoren-1-yl)-1,4,5-trimethylpyridin-1-ium;2-(5-cyclopentyl-2-methyl-9H-fluoren-1-yl)-1,4,5-trimethylpyridin-1-ium;2-(6-cyclopentyl-2-methyl-9H-fluoren-1-yl)-1,4,5-trimethylpyridin-1-ium;2-(7-cyclopentyl-2-methyl-9H-fluoren-1-yl)-1,4,5-trimethylpyridin-1-ium
CID 159841272
1,4,5-trimethyl-2-(2,4,5-trimethyl-9H-fluoren-1-yl)pyridin-1-ium
CID 158506639
4-(4,4-dimethylcyclohexyl)-1,5-dimethyl-2-(2-methyl-9H-fluoren-1-yl)pyridin-1-ium
CID 160606641
5-(4,4-dimethylcyclohexyl)-2-(2,6-dimethyl-9H-fluoren-1-yl)-1,4-dimethylpyridin-1-ium
CID 159298690
4-(3,3-dimethylspiro[5.5]undecan-9-yl)-1,5-dimethyl-2-(2-methyl-9H-fluoren-1-yl)pyridin-1-ium
CID 158870300
2-(5-cyclohexyl-2,4-dimethylphenyl)-1-methylpyridin-1-ium
CID 167365761
5-(2,5-dimethyl-9H-fluoren-1-yl)-4-methyl-4-azoniatricyclo[6.2.1.02,7]undeca-2,4,6-triene
CID 160507770
4-[4-(4,4-dimethylcyclohexyl)-2-methylphenyl]-2-(2,4-dimethyl-9H-fluoren-1-yl)-1,5-dimethylpyridin-1-ium;4-[4-(4,4-dimethylcyclohexyl)-2-methylphenyl]-1,5-dimethyl-2-(2-methyl-9H-fluoren-1-yl)pyridin-1-ium;2-(2,4-dimethyl-9H-fluoren-1-yl)-4-[4-(2,2-dimethylpropyl)-2-methylphenyl]-1,5-dimethylpyridin-1-ium;4-[4-(2,2-dimethylpropyl)-2-methylphenyl]-1,5-dimethyl-2-(2-methyl-9H-fluoren-1-yl)pyridin-1-ium
CID 162246194
1,4,5-trimethyl-2-(1-methyl-9H-fluoren-2-yl)pyridin-1-ium
CID 162171780
3-cyclohexyl-1,5-dimethyl-2-(2-methylphenyl)pyridin-1-ium
CID 140881300
1,4,11,11-tetramethyl-5-(2,4,8-trimethyl-9H-fluoren-1-yl)-4-azoniatricyclo[6.2.1.02,7]undeca-2,4,6-triene
CID 158825496

Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-2-(2,4-dimethyl-9H-fluoren-1-yl)-1,4-dimethylpyridin-1-ium?
The IUPAC name of 5-cyclohexyl-2-(2,4-dimethyl-9H-fluoren-1-yl)-1,4-dimethylpyridin-1-ium (CID 158316417) is 5-cyclohexyl-2-(2,4-dimethyl-9H-fluoren-1-yl)-1,4-dimethylpyridin-1-ium.
What is the SMILES notation for 5-cyclohexyl-2-(2,4-dimethyl-9H-fluoren-1-yl)-1,4-dimethylpyridin-1-ium?
The canonical SMILES for 5-cyclohexyl-2-(2,4-dimethyl-9H-fluoren-1-yl)-1,4-dimethylpyridin-1-ium is Cc1cc(-c2c(C)cc(C)c3c2Cc2ccccc2-3)[n+](C)cc1C1CCCCC1.
What is the InChIKey of 5-cyclohexyl-2-(2,4-dimethyl-9H-fluoren-1-yl)-1,4-dimethylpyridin-1-ium?
The InChIKey is HYTOVAQIGBPZIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N/c1-18-15-26(29(4)17-25(18)21-10-6-5-7-11-21)28-20(3)14-19(2)27-23-13-9-8-12-22(23)16-24(27)28/h8-9,12-15,17,21H,5-7,10-11,16H2,1-4H3/q+1.
What are the key properties of 5-cyclohexyl-2-(2,4-dimethyl-9H-fluoren-1-yl)-1,4-dimethylpyridin-1-ium?
5-cyclohexyl-2-(2,4-dimethyl-9H-fluoren-1-yl)-1,4-dimethylpyridin-1-ium has a molecular weight of 382.57 g/mol, XLogP of 6.72, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-2-(2,4-dimethyl-9H-fluoren-1-yl)-1,4-dimethylpyridin-1-ium is sourced from PubChem (CID 158316417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).