[1-(5-cyclopentyl-2-methylphenyl)-2-methylisoquinolin-2-ium-6-yl]-dimethyl-(2-phenylpropan-2-yl)silane

C33H40NSi+ — CID 155637912

IUPAC[1-(5-cyclopentyl-2-methylphenyl)-2-methylisoquinolin-2-ium-6-yl]-dimethyl-(2-phenylpropan-2-yl)silane
SMILESCc1ccc(C2CCCC2)cc1-c1c2ccc([Si](C)(C)C(C)(C)c3ccccc3)cc2cc[n+]1C
InChIInChI=1S/C33H40NSi/c1-24-16-17-26(25-12-10-11-13-25)23-31(24)32-30-19-18-29(22-27(30)20-21-34(32)4)35(5,6)33(2,3)28-14-8-7-9-15-28/h7-9,14-23,25H,10-13H2,1-6H3/q+1
InChIKeyLMLGLNXZTKBKDW-UHFFFAOYSA-N
MW478.78 g/mol
LogP7.73
Rot. Bonds5

About [1-(5-cyclopentyl-2-methylphenyl)-2-methylisoquinolin-2-ium-6-yl]-dimethyl-(2-phenylpropan-2-yl)silane

[1-(5-cyclopentyl-2-methylphenyl)-2-methylisoquinolin-2-ium-6-yl]-dimethyl-(2-phenylpropan-2-yl)silane (PubChem CID 155637912) has the molecular formula C33H40NSi+ and a molecular weight of 478.78 g/mol. Its IUPAC name is [1-(5-cyclopentyl-2-methylphenyl)-2-methylisoquinolin-2-ium-6-yl]-dimethyl-(2-phenylpropan-2-yl)silane.

Molecular Properties

Compound Name[1-(5-cyclopentyl-2-methylphenyl)-2-methylisoquinolin-2-ium-6-yl]-dimethyl-(2-phenylpropan-2-yl)silane
PubChem CID155637912
Molecular FormulaC33H40NSi+
Molecular Weight478.78 g/mol
Exact Mass478.29
IUPAC Name[1-(5-cyclopentyl-2-methylphenyl)-2-methylisoquinolin-2-ium-6-yl]-dimethyl-(2-phenylpropan-2-yl)silane
SMILESCc1ccc(C2CCCC2)cc1-c1c2ccc([Si](C)(C)C(C)(C)c3ccccc3)cc2cc[n+]1C
InChIInChI=1S/C33H40NSi/c1-24-16-17-26(25-12-10-11-13-25)23-31(24)32-30-19-18-29(22-27(30)20-21-34(32)4)35(5,6)33(2,3)28-14-8-7-9-15-28/h7-9,14-23,25H,10-13H2,1-6H3/q+1
InChIKeyLMLGLNXZTKBKDW-UHFFFAOYSA-N
XLogP7.73
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.78
LogP ≤ 57.73
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 [1-(5-cyclopentyl-2-methylphenyl)-2-methylisoquinolin-2-ium-6-yl]-dimethyl-(2-phenylpropan-2-yl)silane with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl-[1-(5-cyclohexyl-2-methylphenyl)-2-methylisoquinolin-2-ium-6-yl]-diphenylsilane
CID 155637999
[1-(5-cyclohexyl-2-methylphenyl)-2-methylisoquinolin-2-ium-6-yl]-cyclopropyl-dimethylsilane
CID 155637786
tert-butyl-[1-(5-cyclopentyl-2-methylphenyl)-2-methylisoquinolin-2-ium-6-yl]-diethylsilane
CID 155638086
6-cyclohexyl-1-(5-cyclohexyl-2-methylphenyl)-2-methylisoquinolin-2-ium
CID 155638520
1-(5-cyclopentyl-2-methylphenyl)-6-isocyano-2-methylisoquinolin-2-ium
CID 155639093
1-(5-cyclopentyl-2-methylphenyl)-2-methyl-6-pyridin-3-ylisoquinolin-2-ium
CID 155638801
cyclopentyl-dimethyl-[2-methyl-1-(2-methyl-5-phenylphenyl)isoquinolin-2-ium-6-yl]silane
CID 155637545
1-(5-cyclohexyl-2-methylphenyl)-2-methyl-6-pyridin-3-ylisoquinolin-2-ium
CID 155638753
cyclohexyl-dimethyl-[2-methyl-1-(2-methyl-5-phenylphenyl)isoquinolin-2-ium-6-yl]silane
CID 155638337
[1-(5-cyclopentyl-2,3-dimethylphenyl)-2-methylisoquinolin-2-ium-6-yl]-cyclopropyl-dimethylsilane
CID 155638049
6-(1-adamantyl)-1-(5-cyclopentyl-2-methylphenyl)-2-methylisoquinolin-2-ium
CID 155638546
6-cyclohexyl-1-(5-cyclohexyl-2,3-dimethylphenyl)-2-methylisoquinolin-2-ium;6-cyclohexyl-1-(5-cyclohexyl-2-methylphenyl)-2-methylisoquinolin-2-ium;6-cyclohexyl-1-(3,5-dicyclohexyl-2-methylphenyl)-2-methylisoquinolin-2-ium;6-cyclohexyl-2-methyl-1-(2-methyl-5-phenylphenyl)isoquinolin-2-ium
CID 159379464

Frequently Asked Questions

What is the IUPAC name of [1-(5-cyclopentyl-2-methylphenyl)-2-methylisoquinolin-2-ium-6-yl]-dimethyl-(2-phenylpropan-2-yl)silane?
The IUPAC name of [1-(5-cyclopentyl-2-methylphenyl)-2-methylisoquinolin-2-ium-6-yl]-dimethyl-(2-phenylpropan-2-yl)silane (CID 155637912) is [1-(5-cyclopentyl-2-methylphenyl)-2-methylisoquinolin-2-ium-6-yl]-dimethyl-(2-phenylpropan-2-yl)silane.
What is the SMILES notation for [1-(5-cyclopentyl-2-methylphenyl)-2-methylisoquinolin-2-ium-6-yl]-dimethyl-(2-phenylpropan-2-yl)silane?
The canonical SMILES for [1-(5-cyclopentyl-2-methylphenyl)-2-methylisoquinolin-2-ium-6-yl]-dimethyl-(2-phenylpropan-2-yl)silane is Cc1ccc(C2CCCC2)cc1-c1c2ccc([Si](C)(C)C(C)(C)c3ccccc3)cc2cc[n+]1C.
What is the InChIKey of [1-(5-cyclopentyl-2-methylphenyl)-2-methylisoquinolin-2-ium-6-yl]-dimethyl-(2-phenylpropan-2-yl)silane?
The InChIKey is LMLGLNXZTKBKDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H40NSi/c1-24-16-17-26(25-12-10-11-13-25)23-31(24)32-30-19-18-29(22-27(30)20-21-34(32)4)35(5,6)33(2,3)28-14-8-7-9-15-28/h7-9,14-23,25H,10-13H2,1-6H3/q+1.
What are the key properties of [1-(5-cyclopentyl-2-methylphenyl)-2-methylisoquinolin-2-ium-6-yl]-dimethyl-(2-phenylpropan-2-yl)silane?
[1-(5-cyclopentyl-2-methylphenyl)-2-methylisoquinolin-2-ium-6-yl]-dimethyl-(2-phenylpropan-2-yl)silane has a molecular weight of 478.78 g/mol, XLogP of 7.73, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-cyclopentyl-2-methylphenyl)-2-methylisoquinolin-2-ium-6-yl]-dimethyl-(2-phenylpropan-2-yl)silane is sourced from PubChem (CID 155637912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).