cyclohexyl-[1-(2-fluoro-3,5,6-trimethylphenyl)-2-methylisoquinolin-2-ium-6-yl]-dimethylsilane

C27H35FNSi+ — CID 155637994

IUPACcyclohexyl-[1-(2-fluoro-3,5,6-trimethylphenyl)-2-methylisoquinolin-2-ium-6-yl]-dimethylsilane
SMILESCc1cc(C)c(F)c(-c2c3ccc([Si](C)(C)C4CCCCC4)cc3cc[n+]2C)c1C
InChIInChI=1S/C27H35FNSi/c1-18-16-19(2)26(28)25(20(18)3)27-24-13-12-23(17-21(24)14-15-29(27)4)30(5,6)22-10-8-7-9-11-22/h12-17,22H,7-11H2,1-6H3/q+1
InChIKeyKYFOTBTWFNPUDD-UHFFFAOYSA-N
MW420.67 g/mol
LogP6.65
Rot. Bonds3

About cyclohexyl-[1-(2-fluoro-3,5,6-trimethylphenyl)-2-methylisoquinolin-2-ium-6-yl]-dimethylsilane

cyclohexyl-[1-(2-fluoro-3,5,6-trimethylphenyl)-2-methylisoquinolin-2-ium-6-yl]-dimethylsilane (PubChem CID 155637994) has the molecular formula C27H35FNSi+ and a molecular weight of 420.67 g/mol. Its IUPAC name is cyclohexyl-[1-(2-fluoro-3,5,6-trimethylphenyl)-2-methylisoquinolin-2-ium-6-yl]-dimethylsilane.

Molecular Properties

Compound Namecyclohexyl-[1-(2-fluoro-3,5,6-trimethylphenyl)-2-methylisoquinolin-2-ium-6-yl]-dimethylsilane
PubChem CID155637994
Molecular FormulaC27H35FNSi+
Molecular Weight420.67 g/mol
Exact Mass420.25
IUPAC Namecyclohexyl-[1-(2-fluoro-3,5,6-trimethylphenyl)-2-methylisoquinolin-2-ium-6-yl]-dimethylsilane
SMILESCc1cc(C)c(F)c(-c2c3ccc([Si](C)(C)C4CCCCC4)cc3cc[n+]2C)c1C
InChIInChI=1S/C27H35FNSi/c1-18-16-19(2)26(28)25(20(18)3)27-24-13-12-23(17-21(24)14-15-29(27)4)30(5,6)22-10-8-7-9-11-22/h12-17,22H,7-11H2,1-6H3/q+1
InChIKeyKYFOTBTWFNPUDD-UHFFFAOYSA-N
XLogP6.65
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.67
LogP ≤ 56.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze cyclohexyl-[1-(2-fluoro-3,5,6-trimethylphenyl)-2-methylisoquinolin-2-ium-6-yl]-dimethylsilane with MolForge

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Launch Full Analysis

Related Compounds

4-[6-[cyclopentyl(dimethyl)silyl]-2-methylisoquinolin-2-ium-1-yl]-2,3,6-trimethylbenzonitrile
CID 155637583
[1-(5-cyclopentyl-2,3-dimethylphenyl)-2-methylisoquinolin-2-ium-6-yl]-cyclopropyl-dimethylsilane
CID 155638049
cyclopropyl-dimethyl-[2-methyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium-6-yl]silane
CID 155637695
cyclohexyl-dimethyl-[2-methyl-1-(2-methyl-5-phenylphenyl)isoquinolin-2-ium-6-yl]silane
CID 155638337
[1-(5-cyclohexyl-2-methylphenyl)-2-methylisoquinolin-2-ium-6-yl]-cyclopropyl-dimethylsilane
CID 155637786
cyclopentyl-dimethyl-[2-methyl-1-(2-methyl-5-phenylphenyl)isoquinolin-2-ium-6-yl]silane
CID 155637545
1-(2-fluoro-3,5,6-trimethylphenyl)-2-methyl-6-phenylisoquinolin-2-ium
CID 155638774
[1-(3-cyclopentyl-4-fluoro-2-methyl-5-phenylphenyl)-2-methylisoquinolin-2-ium-6-yl]-dimethyl-phenylsilane
CID 155637662
[1-(2,3-dimethyldibenzofuran-4-yl)-2-methylisoquinolin-2-ium-6-yl]-dimethyl-phenylsilane
CID 155637974
[1-(2,3-dimethyldibenzofuran-4-yl)-2-methylisoquinolin-2-ium-6-yl]-tri(propan-2-yl)silane
CID 155638317
[1-(3-cyclopentyl-2-methyl-5-phenylphenyl)-2-methylisoquinolin-2-ium-6-yl]-dimethyl-phenylsilane
CID 155638011
6-cyclohexyl-1-(5-cyclohexyl-2-methylphenyl)-2-methylisoquinolin-2-ium
CID 155638520

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[1-(2-fluoro-3,5,6-trimethylphenyl)-2-methylisoquinolin-2-ium-6-yl]-dimethylsilane?
The IUPAC name of cyclohexyl-[1-(2-fluoro-3,5,6-trimethylphenyl)-2-methylisoquinolin-2-ium-6-yl]-dimethylsilane (CID 155637994) is cyclohexyl-[1-(2-fluoro-3,5,6-trimethylphenyl)-2-methylisoquinolin-2-ium-6-yl]-dimethylsilane.
What is the SMILES notation for cyclohexyl-[1-(2-fluoro-3,5,6-trimethylphenyl)-2-methylisoquinolin-2-ium-6-yl]-dimethylsilane?
The canonical SMILES for cyclohexyl-[1-(2-fluoro-3,5,6-trimethylphenyl)-2-methylisoquinolin-2-ium-6-yl]-dimethylsilane is Cc1cc(C)c(F)c(-c2c3ccc([Si](C)(C)C4CCCCC4)cc3cc[n+]2C)c1C.
What is the InChIKey of cyclohexyl-[1-(2-fluoro-3,5,6-trimethylphenyl)-2-methylisoquinolin-2-ium-6-yl]-dimethylsilane?
The InChIKey is KYFOTBTWFNPUDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35FNSi/c1-18-16-19(2)26(28)25(20(18)3)27-24-13-12-23(17-21(24)14-15-29(27)4)30(5,6)22-10-8-7-9-11-22/h12-17,22H,7-11H2,1-6H3/q+1.
What are the key properties of cyclohexyl-[1-(2-fluoro-3,5,6-trimethylphenyl)-2-methylisoquinolin-2-ium-6-yl]-dimethylsilane?
cyclohexyl-[1-(2-fluoro-3,5,6-trimethylphenyl)-2-methylisoquinolin-2-ium-6-yl]-dimethylsilane has a molecular weight of 420.67 g/mol, XLogP of 6.65, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[1-(2-fluoro-3,5,6-trimethylphenyl)-2-methylisoquinolin-2-ium-6-yl]-dimethylsilane is sourced from PubChem (CID 155637994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).