triethyl-[2-methyl-1-(2-methyl-5-phenyl-3-propan-2-ylphenyl)isoquinolin-2-ium-6-yl]silane

C32H40NSi+ — CID 155638144

IUPACtriethyl-[2-methyl-1-(2-methyl-5-phenyl-3-propan-2-ylphenyl)isoquinolin-2-ium-6-yl]silane
SMILESCC[Si](CC)(CC)c1ccc2c(-c3cc(-c4ccccc4)cc(C(C)C)c3C)[n+](C)ccc2c1
InChIInChI=1S/C32H40NSi/c1-8-34(9-2,10-3)28-16-17-29-26(20-28)18-19-33(7)32(29)31-22-27(25-14-12-11-13-15-25)21-30(23(4)5)24(31)6/h11-23H,8-10H2,1-7H3/q+1
InChIKeyUOUCTJXLZWEMIA-UHFFFAOYSA-N
MW466.77 g/mol
LogP8.15
Rot. Bonds7

About triethyl-[2-methyl-1-(2-methyl-5-phenyl-3-propan-2-ylphenyl)isoquinolin-2-ium-6-yl]silane

triethyl-[2-methyl-1-(2-methyl-5-phenyl-3-propan-2-ylphenyl)isoquinolin-2-ium-6-yl]silane (PubChem CID 155638144) has the molecular formula C32H40NSi+ and a molecular weight of 466.77 g/mol. Its IUPAC name is triethyl-[2-methyl-1-(2-methyl-5-phenyl-3-propan-2-ylphenyl)isoquinolin-2-ium-6-yl]silane.

Molecular Properties

Compound Nametriethyl-[2-methyl-1-(2-methyl-5-phenyl-3-propan-2-ylphenyl)isoquinolin-2-ium-6-yl]silane
PubChem CID155638144
Molecular FormulaC32H40NSi+
Molecular Weight466.77 g/mol
Exact Mass466.29
IUPAC Nametriethyl-[2-methyl-1-(2-methyl-5-phenyl-3-propan-2-ylphenyl)isoquinolin-2-ium-6-yl]silane
SMILESCC[Si](CC)(CC)c1ccc2c(-c3cc(-c4ccccc4)cc(C(C)C)c3C)[n+](C)ccc2c1
InChIInChI=1S/C32H40NSi/c1-8-34(9-2,10-3)28-16-17-29-26(20-28)18-19-33(7)32(29)31-22-27(25-14-12-11-13-15-25)21-30(23(4)5)24(31)6/h11-23H,8-10H2,1-7H3/q+1
InChIKeyUOUCTJXLZWEMIA-UHFFFAOYSA-N
XLogP8.15
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.77
LogP ≤ 58.15
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 triethyl-[2-methyl-1-(2-methyl-5-phenyl-3-propan-2-ylphenyl)isoquinolin-2-ium-6-yl]silane with MolForge

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Launch Full Analysis

Related Compounds

[3-deuterio-2-methyl-1-(2-methyl-5-phenyl-3-propan-2-ylphenyl)isoquinolin-2-ium-6-yl]-dimethyl-phenylsilane
CID 155639415
[1-(2,3-dimethyl-5-phenylphenyl)-2-methylisoquinolin-2-ium-6-yl]-tri(propan-2-yl)silane
CID 155637953
tert-butyl-[2-methyl-1-(2-methyl-5-phenyl-3-propan-2-ylphenyl)isoquinolin-2-ium-6-yl]-diphenylsilane;dimethyl-[2-methyl-1-(2-methyl-5-phenyl-3-propan-2-ylphenyl)isoquinolin-2-ium-6-yl]-phenylsilane;methyl-[2-methyl-1-(2-methyl-5-phenyl-3-propan-2-ylphenyl)isoquinolin-2-ium-6-yl]-diphenylsilane;[2-methyl-1-(2-methyl-5-phenyl-3-propan-2-ylphenyl)isoquinolin-2-ium-6-yl]-triphenylsilane
CID 158962107
diethyl-[2-methyl-1-[2-methyl-3,5-di(propan-2-yl)phenyl]isoquinolin-2-ium-6-yl]-propan-2-ylsilane
CID 155638289
[2-methyl-1-(2-methyl-5-phenylphenyl)isoquinolin-2-ium-6-yl]-tris(2-methylpropyl)silane
CID 155637749
[1-(2,3-dimethyl-5-phenylphenyl)-2-methylisoquinolin-2-ium-6-yl]-trimethylsilane
CID 155637585
3,4-dideuterio-2-methyl-1-(2-methyl-5-phenyl-3-propan-2-ylphenyl)-6-propan-2-ylisoquinolin-2-ium
CID 158337815
2,3,6-trimethyl-4-(2-methyl-6-triethylsilylisoquinolin-2-ium-1-yl)benzonitrile
CID 155638177
[1-[4-(2,6-dimethylphenyl)-2-methylphenyl]-2-methylisoquinolin-2-ium-6-yl]-triethylsilane
CID 155637731
[1-(4-fluoro-2,3-dimethyl-5-phenylphenyl)-2-methylisoquinolin-2-ium-6-yl]-dimethyl-propan-2-ylsilane
CID 155637944
[1-(3-cyclopentyl-2-methyl-5-phenylphenyl)-2-methylisoquinolin-2-ium-6-yl]-dimethyl-phenylsilane
CID 155638011
[1-(2,3-dimethyl-5-propan-2-ylphenyl)-2-methylisoquinolin-2-ium-6-yl]-tris(2-methylpropyl)silane
CID 155637578

Frequently Asked Questions

What is the IUPAC name of triethyl-[2-methyl-1-(2-methyl-5-phenyl-3-propan-2-ylphenyl)isoquinolin-2-ium-6-yl]silane?
The IUPAC name of triethyl-[2-methyl-1-(2-methyl-5-phenyl-3-propan-2-ylphenyl)isoquinolin-2-ium-6-yl]silane (CID 155638144) is triethyl-[2-methyl-1-(2-methyl-5-phenyl-3-propan-2-ylphenyl)isoquinolin-2-ium-6-yl]silane.
What is the SMILES notation for triethyl-[2-methyl-1-(2-methyl-5-phenyl-3-propan-2-ylphenyl)isoquinolin-2-ium-6-yl]silane?
The canonical SMILES for triethyl-[2-methyl-1-(2-methyl-5-phenyl-3-propan-2-ylphenyl)isoquinolin-2-ium-6-yl]silane is CC[Si](CC)(CC)c1ccc2c(-c3cc(-c4ccccc4)cc(C(C)C)c3C)[n+](C)ccc2c1.
What is the InChIKey of triethyl-[2-methyl-1-(2-methyl-5-phenyl-3-propan-2-ylphenyl)isoquinolin-2-ium-6-yl]silane?
The InChIKey is UOUCTJXLZWEMIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H40NSi/c1-8-34(9-2,10-3)28-16-17-29-26(20-28)18-19-33(7)32(29)31-22-27(25-14-12-11-13-15-25)21-30(23(4)5)24(31)6/h11-23H,8-10H2,1-7H3/q+1.
What are the key properties of triethyl-[2-methyl-1-(2-methyl-5-phenyl-3-propan-2-ylphenyl)isoquinolin-2-ium-6-yl]silane?
triethyl-[2-methyl-1-(2-methyl-5-phenyl-3-propan-2-ylphenyl)isoquinolin-2-ium-6-yl]silane has a molecular weight of 466.77 g/mol, XLogP of 8.15, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[2-methyl-1-(2-methyl-5-phenyl-3-propan-2-ylphenyl)isoquinolin-2-ium-6-yl]silane is sourced from PubChem (CID 155638144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).