cyclopentyl-dimethyl-[2-methyl-1-(2-methyl-5-phenylphenyl)isoquinolin-2-ium-6-yl]silane

C30H34NSi+ — CID 155637545

IUPACcyclopentyl-dimethyl-[2-methyl-1-(2-methyl-5-phenylphenyl)isoquinolin-2-ium-6-yl]silane
SMILESCc1ccc(-c2ccccc2)cc1-c1c2ccc([Si](C)(C)C3CCCC3)cc2cc[n+]1C
InChIInChI=1S/C30H34NSi/c1-22-14-15-24(23-10-6-5-7-11-23)21-29(22)30-28-17-16-27(20-25(28)18-19-31(30)2)32(3,4)26-12-8-9-13-26/h5-7,10-11,14-21,26H,8-9,12-13H2,1-4H3/q+1
InChIKeyWPKBOHZOAUEGEK-UHFFFAOYSA-N
MW436.70 g/mol
LogP7.17
Rot. Bonds4

About cyclopentyl-dimethyl-[2-methyl-1-(2-methyl-5-phenylphenyl)isoquinolin-2-ium-6-yl]silane

cyclopentyl-dimethyl-[2-methyl-1-(2-methyl-5-phenylphenyl)isoquinolin-2-ium-6-yl]silane (PubChem CID 155637545) has the molecular formula C30H34NSi+ and a molecular weight of 436.70 g/mol. Its IUPAC name is cyclopentyl-dimethyl-[2-methyl-1-(2-methyl-5-phenylphenyl)isoquinolin-2-ium-6-yl]silane.

Molecular Properties

Compound Namecyclopentyl-dimethyl-[2-methyl-1-(2-methyl-5-phenylphenyl)isoquinolin-2-ium-6-yl]silane
PubChem CID155637545
Molecular FormulaC30H34NSi+
Molecular Weight436.70 g/mol
Exact Mass436.25
IUPAC Namecyclopentyl-dimethyl-[2-methyl-1-(2-methyl-5-phenylphenyl)isoquinolin-2-ium-6-yl]silane
SMILESCc1ccc(-c2ccccc2)cc1-c1c2ccc([Si](C)(C)C3CCCC3)cc2cc[n+]1C
InChIInChI=1S/C30H34NSi/c1-22-14-15-24(23-10-6-5-7-11-23)21-29(22)30-28-17-16-27(20-25(28)18-19-31(30)2)32(3,4)26-12-8-9-13-26/h5-7,10-11,14-21,26H,8-9,12-13H2,1-4H3/q+1
InChIKeyWPKBOHZOAUEGEK-UHFFFAOYSA-N
XLogP7.17
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.70
LogP ≤ 57.17
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 cyclopentyl-dimethyl-[2-methyl-1-(2-methyl-5-phenylphenyl)isoquinolin-2-ium-6-yl]silane with MolForge

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Launch Full Analysis

Related Compounds

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
[2-methyl-1-(2-methyl-5-phenylphenyl)isoquinolin-2-ium-6-yl]-tris(2-methylpropyl)silane
CID 155637749
4-[6-[cyclopentyl(dimethyl)silyl]-2-methylisoquinolin-2-ium-1-yl]-2,3,6-trimethylbenzonitrile
CID 155637583
[1-(3-cyclopentyl-2-methyl-5-phenylphenyl)-2-methylisoquinolin-2-ium-6-yl]-dimethyl-phenylsilane
CID 155638011
2-methyl-1-(2-methyl-5-phenylphenyl)-6-(1-methylsilolan-1-yl)isoquinolin-2-ium
CID 155638266
[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
[1-(2,3-dimethyl-5-phenylphenyl)-2-methylisoquinolin-2-ium-6-yl]-trimethylsilane
CID 155637585
cyclohexyl-[1-(2-fluoro-3,5,6-trimethylphenyl)-2-methylisoquinolin-2-ium-6-yl]-dimethylsilane
CID 155637994
1-(5-cyclopentyl-2-methylphenyl)-2-methyl-6-pyridin-3-ylisoquinolin-2-ium
CID 155638801
[1-(5-cyclopentyl-2-methylphenyl)-2-methylisoquinolin-2-ium-6-yl]-dimethyl-(2-phenylpropan-2-yl)silane
CID 155637912

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-dimethyl-[2-methyl-1-(2-methyl-5-phenylphenyl)isoquinolin-2-ium-6-yl]silane?
The IUPAC name of cyclopentyl-dimethyl-[2-methyl-1-(2-methyl-5-phenylphenyl)isoquinolin-2-ium-6-yl]silane (CID 155637545) is cyclopentyl-dimethyl-[2-methyl-1-(2-methyl-5-phenylphenyl)isoquinolin-2-ium-6-yl]silane.
What is the SMILES notation for cyclopentyl-dimethyl-[2-methyl-1-(2-methyl-5-phenylphenyl)isoquinolin-2-ium-6-yl]silane?
The canonical SMILES for cyclopentyl-dimethyl-[2-methyl-1-(2-methyl-5-phenylphenyl)isoquinolin-2-ium-6-yl]silane is Cc1ccc(-c2ccccc2)cc1-c1c2ccc([Si](C)(C)C3CCCC3)cc2cc[n+]1C.
What is the InChIKey of cyclopentyl-dimethyl-[2-methyl-1-(2-methyl-5-phenylphenyl)isoquinolin-2-ium-6-yl]silane?
The InChIKey is WPKBOHZOAUEGEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34NSi/c1-22-14-15-24(23-10-6-5-7-11-23)21-29(22)30-28-17-16-27(20-25(28)18-19-31(30)2)32(3,4)26-12-8-9-13-26/h5-7,10-11,14-21,26H,8-9,12-13H2,1-4H3/q+1.
What are the key properties of cyclopentyl-dimethyl-[2-methyl-1-(2-methyl-5-phenylphenyl)isoquinolin-2-ium-6-yl]silane?
cyclopentyl-dimethyl-[2-methyl-1-(2-methyl-5-phenylphenyl)isoquinolin-2-ium-6-yl]silane has a molecular weight of 436.70 g/mol, XLogP of 7.17, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-dimethyl-[2-methyl-1-(2-methyl-5-phenylphenyl)isoquinolin-2-ium-6-yl]silane is sourced from PubChem (CID 155637545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).