[1-(2,3-dimethyl-5-phenylphenyl)-2-methylisoquinolin-2-ium-6-yl]-tri(propan-2-yl)silane

C33H42NSi+ — CID 155637953

IUPAC[1-(2,3-dimethyl-5-phenylphenyl)-2-methylisoquinolin-2-ium-6-yl]-tri(propan-2-yl)silane
SMILESCc1cc(-c2ccccc2)cc(-c2c3ccc([Si](C(C)C)(C(C)C)C(C)C)cc3cc[n+]2C)c1C
InChIInChI=1S/C33H42NSi/c1-22(2)35(23(3)4,24(5)6)30-15-16-31-28(20-30)17-18-34(9)33(31)32-21-29(19-25(7)26(32)8)27-13-11-10-12-14-27/h10-24H,1-9H3/q+1
InChIKeyJTLOGZAJBUVNLF-UHFFFAOYSA-N
MW480.79 g/mol
LogP8.50
Rot. Bonds6

About [1-(2,3-dimethyl-5-phenylphenyl)-2-methylisoquinolin-2-ium-6-yl]-tri(propan-2-yl)silane

[1-(2,3-dimethyl-5-phenylphenyl)-2-methylisoquinolin-2-ium-6-yl]-tri(propan-2-yl)silane (PubChem CID 155637953) has the molecular formula C33H42NSi+ and a molecular weight of 480.79 g/mol. Its IUPAC name is [1-(2,3-dimethyl-5-phenylphenyl)-2-methylisoquinolin-2-ium-6-yl]-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[1-(2,3-dimethyl-5-phenylphenyl)-2-methylisoquinolin-2-ium-6-yl]-tri(propan-2-yl)silane
PubChem CID155637953
Molecular FormulaC33H42NSi+
Molecular Weight480.79 g/mol
Exact Mass480.31
IUPAC Name[1-(2,3-dimethyl-5-phenylphenyl)-2-methylisoquinolin-2-ium-6-yl]-tri(propan-2-yl)silane
SMILESCc1cc(-c2ccccc2)cc(-c2c3ccc([Si](C(C)C)(C(C)C)C(C)C)cc3cc[n+]2C)c1C
InChIInChI=1S/C33H42NSi/c1-22(2)35(23(3)4,24(5)6)30-15-16-31-28(20-30)17-18-34(9)33(31)32-21-29(19-25(7)26(32)8)27-13-11-10-12-14-27/h10-24H,1-9H3/q+1
InChIKeyJTLOGZAJBUVNLF-UHFFFAOYSA-N
XLogP8.50
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.79
LogP ≤ 58.50
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-phenylphenyl)-2-methylisoquinolin-2-ium-6-yl]-tri(propan-2-yl)silane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(2,3-dimethyl-5-phenylphenyl)-2-methylisoquinolin-2-ium-6-yl]-trimethylsilane
CID 155637585
triethyl-[2-methyl-1-(2-methyl-5-phenyl-3-propan-2-ylphenyl)isoquinolin-2-ium-6-yl]silane
CID 155638144
1-(2,3-dimethyl-5-phenylphenyl)-6-(2,2-dimethylpropyl)-2-methylisoquinolin-2-ium
CID 155638467
[2-methyl-1-(2-methyl-5-phenylphenyl)isoquinolin-2-ium-6-yl]-tris(2-methylpropyl)silane
CID 155637749
[1-(4-fluoro-2,3-dimethyl-5-phenylphenyl)-2-methylisoquinolin-2-ium-6-yl]-dimethyl-propan-2-ylsilane
CID 155637944
6-(1-adamantyl)-1-(2,3-dimethyl-5-phenylphenyl)-2-methylisoquinolin-2-ium
CID 155639065
[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
dimethyl-[2-methyl-1-[2,3,5-trimethyl-4-(trifluoromethyl)phenyl]isoquinolin-2-ium-6-yl]-propan-2-ylsilane
CID 176592494
[1-(2,3-dimethyl-5-propan-2-ylphenyl)-2-methylisoquinolin-2-ium-6-yl]-tris(2-methylpropyl)silane
CID 155637578
[1-[4-(2,6-dimethylphenyl)-2-methylphenyl]-2-methylisoquinolin-2-ium-6-yl]-dimethyl-propan-2-ylsilane
CID 155637689
[1-[2,3-dimethyl-5-(2,2,2-trifluoroethyl)phenyl]-2-methylisoquinolin-2-ium-6-yl]-methyl-diphenylsilane
CID 155638176

Frequently Asked Questions

What is the IUPAC name of [1-(2,3-dimethyl-5-phenylphenyl)-2-methylisoquinolin-2-ium-6-yl]-tri(propan-2-yl)silane?
The IUPAC name of [1-(2,3-dimethyl-5-phenylphenyl)-2-methylisoquinolin-2-ium-6-yl]-tri(propan-2-yl)silane (CID 155637953) is [1-(2,3-dimethyl-5-phenylphenyl)-2-methylisoquinolin-2-ium-6-yl]-tri(propan-2-yl)silane.
What is the SMILES notation for [1-(2,3-dimethyl-5-phenylphenyl)-2-methylisoquinolin-2-ium-6-yl]-tri(propan-2-yl)silane?
The canonical SMILES for [1-(2,3-dimethyl-5-phenylphenyl)-2-methylisoquinolin-2-ium-6-yl]-tri(propan-2-yl)silane is Cc1cc(-c2ccccc2)cc(-c2c3ccc([Si](C(C)C)(C(C)C)C(C)C)cc3cc[n+]2C)c1C.
What is the InChIKey of [1-(2,3-dimethyl-5-phenylphenyl)-2-methylisoquinolin-2-ium-6-yl]-tri(propan-2-yl)silane?
The InChIKey is JTLOGZAJBUVNLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H42NSi/c1-22(2)35(23(3)4,24(5)6)30-15-16-31-28(20-30)17-18-34(9)33(31)32-21-29(19-25(7)26(32)8)27-13-11-10-12-14-27/h10-24H,1-9H3/q+1.
What are the key properties of [1-(2,3-dimethyl-5-phenylphenyl)-2-methylisoquinolin-2-ium-6-yl]-tri(propan-2-yl)silane?
[1-(2,3-dimethyl-5-phenylphenyl)-2-methylisoquinolin-2-ium-6-yl]-tri(propan-2-yl)silane has a molecular weight of 480.79 g/mol, XLogP of 8.50, 6 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-phenylphenyl)-2-methylisoquinolin-2-ium-6-yl]-tri(propan-2-yl)silane is sourced from PubChem (CID 155637953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).