[1-(2,3-dimethyl-5-propan-2-ylphenyl)-2-methylisoquinolin-2-ium-6-yl]-tris(2-methylpropyl)silane

C33H50NSi+ — CID 155637578

IUPAC[1-(2,3-dimethyl-5-propan-2-ylphenyl)-2-methylisoquinolin-2-ium-6-yl]-tris(2-methylpropyl)silane
SMILESCc1cc(C(C)C)cc(-c2c3ccc([Si](CC(C)C)(CC(C)C)CC(C)C)cc3cc[n+]2C)c1C
InChIInChI=1S/C33H50NSi/c1-22(2)19-35(20-23(3)4,21-24(5)6)30-12-13-31-28(17-30)14-15-34(11)33(31)32-18-29(25(7)8)16-26(9)27(32)10/h12-18,22-25H,19-21H2,1-11H3/q+1
InChIKeyGACOYKPYRDNMMV-UHFFFAOYSA-N
MW488.86 g/mol
LogP8.70
Rot. Bonds9

About [1-(2,3-dimethyl-5-propan-2-ylphenyl)-2-methylisoquinolin-2-ium-6-yl]-tris(2-methylpropyl)silane

[1-(2,3-dimethyl-5-propan-2-ylphenyl)-2-methylisoquinolin-2-ium-6-yl]-tris(2-methylpropyl)silane (PubChem CID 155637578) has the molecular formula C33H50NSi+ and a molecular weight of 488.86 g/mol. Its IUPAC name is [1-(2,3-dimethyl-5-propan-2-ylphenyl)-2-methylisoquinolin-2-ium-6-yl]-tris(2-methylpropyl)silane.

Molecular Properties

Compound Name[1-(2,3-dimethyl-5-propan-2-ylphenyl)-2-methylisoquinolin-2-ium-6-yl]-tris(2-methylpropyl)silane
PubChem CID155637578
Molecular FormulaC33H50NSi+
Molecular Weight488.86 g/mol
Exact Mass488.37
IUPAC Name[1-(2,3-dimethyl-5-propan-2-ylphenyl)-2-methylisoquinolin-2-ium-6-yl]-tris(2-methylpropyl)silane
SMILESCc1cc(C(C)C)cc(-c2c3ccc([Si](CC(C)C)(CC(C)C)CC(C)C)cc3cc[n+]2C)c1C
InChIInChI=1S/C33H50NSi/c1-22(2)19-35(20-23(3)4,21-24(5)6)30-12-13-31-28(17-30)14-15-34(11)33(31)32-18-29(25(7)8)16-26(9)27(32)10/h12-18,22-25H,19-21H2,1-11H3/q+1
InChIKeyGACOYKPYRDNMMV-UHFFFAOYSA-N
XLogP8.70
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.86
LogP ≤ 58.70
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-(2,3-dimethyl-5-propan-2-ylphenyl)-2-methylisoquinolin-2-ium-6-yl]-tris(2-methylpropyl)silane with MolForge

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Launch Full Analysis

Related Compounds

[1-(2,3-dimethyl-5-propan-2-ylphenyl)-2-methylisoquinolin-2-ium-6-yl]-(2,2-dimethylpropyl)-dimethylsilane
CID 155637876
1-(2,3-dimethyl-5-propan-2-ylphenyl)-2,6-dimethylisoquinolin-2-ium
CID 155637639
[2-methyl-1-(2-methyl-5-phenylphenyl)isoquinolin-2-ium-6-yl]-tris(2-methylpropyl)silane
CID 155637749
diethyl-[2-methyl-1-[2-methyl-3,5-di(propan-2-yl)phenyl]isoquinolin-2-ium-6-yl]-propan-2-ylsilane
CID 155638289
1-(2,3-dimethyl-5-propan-2-ylphenyl)-2-methyl-6-pyridin-3-ylisoquinolin-2-ium
CID 155638456
triethyl-[3-methyl-4-(2,3,5-trimethylphenyl)benzo[f]isoquinolin-3-ium-8-yl]silane
CID 166015601
[1-(2,3-dimethyl-5-phenylphenyl)-2-methylisoquinolin-2-ium-6-yl]-tri(propan-2-yl)silane
CID 155637953
[1-(5-tert-butyl-2,3-dimethylphenyl)-2-methylisoquinolin-2-ium-6-yl]-triethylsilane;[1-(5-tert-butyl-2-methylphenyl)-2-methylisoquinolin-2-ium-6-yl]-triethylsilane;[1-(3,5-ditert-butyl-2-methylphenyl)-2-methylisoquinolin-2-ium-6-yl]-triethylsilane
CID 159231593
triethyl-[2-methyl-1-(2-methyl-5-phenyl-3-propan-2-ylphenyl)isoquinolin-2-ium-6-yl]silane
CID 155638144
1-(5-tert-butyl-2,3-dimethylphenyl)-2-methyl-6-(4-propan-2-ylphenyl)isoquinolin-2-ium
CID 166054849
2,6-dimethyl-1-(2-methyl-5-propan-2-ylphenyl)isoquinolin-2-ium
CID 155638527
2,3,6-trimethyl-4-(2-methyl-6-triethylsilylisoquinolin-2-ium-1-yl)benzonitrile
CID 155638177

Frequently Asked Questions

What is the IUPAC name of [1-(2,3-dimethyl-5-propan-2-ylphenyl)-2-methylisoquinolin-2-ium-6-yl]-tris(2-methylpropyl)silane?
The IUPAC name of [1-(2,3-dimethyl-5-propan-2-ylphenyl)-2-methylisoquinolin-2-ium-6-yl]-tris(2-methylpropyl)silane (CID 155637578) is [1-(2,3-dimethyl-5-propan-2-ylphenyl)-2-methylisoquinolin-2-ium-6-yl]-tris(2-methylpropyl)silane.
What is the SMILES notation for [1-(2,3-dimethyl-5-propan-2-ylphenyl)-2-methylisoquinolin-2-ium-6-yl]-tris(2-methylpropyl)silane?
The canonical SMILES for [1-(2,3-dimethyl-5-propan-2-ylphenyl)-2-methylisoquinolin-2-ium-6-yl]-tris(2-methylpropyl)silane is Cc1cc(C(C)C)cc(-c2c3ccc([Si](CC(C)C)(CC(C)C)CC(C)C)cc3cc[n+]2C)c1C.
What is the InChIKey of [1-(2,3-dimethyl-5-propan-2-ylphenyl)-2-methylisoquinolin-2-ium-6-yl]-tris(2-methylpropyl)silane?
The InChIKey is GACOYKPYRDNMMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H50NSi/c1-22(2)19-35(20-23(3)4,21-24(5)6)30-12-13-31-28(17-30)14-15-34(11)33(31)32-18-29(25(7)8)16-26(9)27(32)10/h12-18,22-25H,19-21H2,1-11H3/q+1.
What are the key properties of [1-(2,3-dimethyl-5-propan-2-ylphenyl)-2-methylisoquinolin-2-ium-6-yl]-tris(2-methylpropyl)silane?
[1-(2,3-dimethyl-5-propan-2-ylphenyl)-2-methylisoquinolin-2-ium-6-yl]-tris(2-methylpropyl)silane has a molecular weight of 488.86 g/mol, XLogP of 8.70, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,3-dimethyl-5-propan-2-ylphenyl)-2-methylisoquinolin-2-ium-6-yl]-tris(2-methylpropyl)silane is sourced from PubChem (CID 155637578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).