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

C31H36NSi+ — CID 155638337

IUPACcyclohexyl-dimethyl-[2-methyl-1-(2-methyl-5-phenylphenyl)isoquinolin-2-ium-6-yl]silane
SMILESCc1ccc(-c2ccccc2)cc1-c1c2ccc([Si](C)(C)C3CCCCC3)cc2cc[n+]1C
InChIInChI=1S/C31H36NSi/c1-23-15-16-25(24-11-7-5-8-12-24)22-30(23)31-29-18-17-28(21-26(29)19-20-32(31)2)33(3,4)27-13-9-6-10-14-27/h5,7-8,11-12,15-22,27H,6,9-10,13-14H2,1-4H3/q+1
InChIKeyZGTLJNOFZHUXPD-UHFFFAOYSA-N
MW450.72 g/mol
LogP7.56
Rot. Bonds4

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

cyclohexyl-dimethyl-[2-methyl-1-(2-methyl-5-phenylphenyl)isoquinolin-2-ium-6-yl]silane (PubChem CID 155638337) has the molecular formula C31H36NSi+ and a molecular weight of 450.72 g/mol. Its IUPAC name is cyclohexyl-dimethyl-[2-methyl-1-(2-methyl-5-phenylphenyl)isoquinolin-2-ium-6-yl]silane.

Molecular Properties

Compound Namecyclohexyl-dimethyl-[2-methyl-1-(2-methyl-5-phenylphenyl)isoquinolin-2-ium-6-yl]silane
PubChem CID155638337
Molecular FormulaC31H36NSi+
Molecular Weight450.72 g/mol
Exact Mass450.26
IUPAC Namecyclohexyl-dimethyl-[2-methyl-1-(2-methyl-5-phenylphenyl)isoquinolin-2-ium-6-yl]silane
SMILESCc1ccc(-c2ccccc2)cc1-c1c2ccc([Si](C)(C)C3CCCCC3)cc2cc[n+]1C
InChIInChI=1S/C31H36NSi/c1-23-15-16-25(24-11-7-5-8-12-24)22-30(23)31-29-18-17-28(21-26(29)19-20-32(31)2)33(3,4)27-13-9-6-10-14-27/h5,7-8,11-12,15-22,27H,6,9-10,13-14H2,1-4H3/q+1
InChIKeyZGTLJNOFZHUXPD-UHFFFAOYSA-N
XLogP7.56
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.72
LogP ≤ 57.56
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-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

cyclopentyl-dimethyl-[2-methyl-1-(2-methyl-5-phenylphenyl)isoquinolin-2-ium-6-yl]silane
CID 155637545
[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
cyclohexyl-[1-(2-fluoro-3,5,6-trimethylphenyl)-2-methylisoquinolin-2-ium-6-yl]-dimethylsilane
CID 155637994
[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-(5-cyclohexyl-2-methylphenyl)-2-methyl-6-pyridin-3-ylisoquinolin-2-ium
CID 155638753
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
[1-(2,3-dimethyl-5-phenylphenyl)-2-methylisoquinolin-2-ium-6-yl]-trimethylsilane
CID 155637585

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-dimethyl-[2-methyl-1-(2-methyl-5-phenylphenyl)isoquinolin-2-ium-6-yl]silane?
The IUPAC name of cyclohexyl-dimethyl-[2-methyl-1-(2-methyl-5-phenylphenyl)isoquinolin-2-ium-6-yl]silane (CID 155638337) is cyclohexyl-dimethyl-[2-methyl-1-(2-methyl-5-phenylphenyl)isoquinolin-2-ium-6-yl]silane.
What is the SMILES notation for cyclohexyl-dimethyl-[2-methyl-1-(2-methyl-5-phenylphenyl)isoquinolin-2-ium-6-yl]silane?
The canonical SMILES for cyclohexyl-dimethyl-[2-methyl-1-(2-methyl-5-phenylphenyl)isoquinolin-2-ium-6-yl]silane is Cc1ccc(-c2ccccc2)cc1-c1c2ccc([Si](C)(C)C3CCCCC3)cc2cc[n+]1C.
What is the InChIKey of cyclohexyl-dimethyl-[2-methyl-1-(2-methyl-5-phenylphenyl)isoquinolin-2-ium-6-yl]silane?
The InChIKey is ZGTLJNOFZHUXPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36NSi/c1-23-15-16-25(24-11-7-5-8-12-24)22-30(23)31-29-18-17-28(21-26(29)19-20-32(31)2)33(3,4)27-13-9-6-10-14-27/h5,7-8,11-12,15-22,27H,6,9-10,13-14H2,1-4H3/q+1.
What are the key properties of cyclohexyl-dimethyl-[2-methyl-1-(2-methyl-5-phenylphenyl)isoquinolin-2-ium-6-yl]silane?
cyclohexyl-dimethyl-[2-methyl-1-(2-methyl-5-phenylphenyl)isoquinolin-2-ium-6-yl]silane has a molecular weight of 450.72 g/mol, XLogP of 7.56, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-dimethyl-[2-methyl-1-(2-methyl-5-phenylphenyl)isoquinolin-2-ium-6-yl]silane is sourced from PubChem (CID 155638337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).