[1-(5-cyclopentyl-2,3-dimethylphenyl)-2,3-dimethylisoquinolin-2-ium-6-yl]-dimethyl-phenylsilane

C32H38NSi+ — CID 162077271

IUPAC[1-(5-cyclopentyl-2,3-dimethylphenyl)-2,3-dimethylisoquinolin-2-ium-6-yl]-dimethyl-phenylsilane
SMILESCc1cc(C2CCCC2)cc(-c2c3ccc([Si](C)(C)c4ccccc4)cc3cc(C)[n+]2C)c1C
InChIInChI=1S/C32H38NSi/c1-22-18-26(25-12-10-11-13-25)21-31(24(22)3)32-30-17-16-29(20-27(30)19-23(2)33(32)4)34(5,6)28-14-8-7-9-15-28/h7-9,14-21,25H,10-13H2,1-6H3/q+1
InChIKeyJGDJOPCDGFBVPW-UHFFFAOYSA-N
MW464.75 g/mol
LogP6.74
Rot. Bonds4

About [1-(5-cyclopentyl-2,3-dimethylphenyl)-2,3-dimethylisoquinolin-2-ium-6-yl]-dimethyl-phenylsilane

[1-(5-cyclopentyl-2,3-dimethylphenyl)-2,3-dimethylisoquinolin-2-ium-6-yl]-dimethyl-phenylsilane (PubChem CID 162077271) has the molecular formula C32H38NSi+ and a molecular weight of 464.75 g/mol. Its IUPAC name is [1-(5-cyclopentyl-2,3-dimethylphenyl)-2,3-dimethylisoquinolin-2-ium-6-yl]-dimethyl-phenylsilane.

Molecular Properties

Compound Name[1-(5-cyclopentyl-2,3-dimethylphenyl)-2,3-dimethylisoquinolin-2-ium-6-yl]-dimethyl-phenylsilane
PubChem CID162077271
Molecular FormulaC32H38NSi+
Molecular Weight464.75 g/mol
Exact Mass464.28
IUPAC Name[1-(5-cyclopentyl-2,3-dimethylphenyl)-2,3-dimethylisoquinolin-2-ium-6-yl]-dimethyl-phenylsilane
SMILESCc1cc(C2CCCC2)cc(-c2c3ccc([Si](C)(C)c4ccccc4)cc3cc(C)[n+]2C)c1C
InChIInChI=1S/C32H38NSi/c1-22-18-26(25-12-10-11-13-25)21-31(24(22)3)32-30-17-16-29(20-27(30)19-23(2)33(32)4)34(5,6)28-14-8-7-9-15-28/h7-9,14-21,25H,10-13H2,1-6H3/q+1
InChIKeyJGDJOPCDGFBVPW-UHFFFAOYSA-N
XLogP6.74
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.75
LogP ≤ 56.74
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-(5-cyclopentyl-2,3-dimethylphenyl)-2,3-dimethylisoquinolin-2-ium-6-yl]-dimethyl-phenylsilane with MolForge

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Launch Full Analysis

Related Compounds

1-(5-cyclohexyl-2,3-dimethylphenyl)-6-cyclopentyl-2,3-dimethylisoquinolin-2-ium
CID 158878234
[3,4-dideuterio-1-(3,5-dicyclopentyl-2-methylphenyl)-2-methylisoquinolin-2-ium-6-yl]-dimethyl-phenylsilane
CID 157157752
[3-deuterio-1-(3,5-dicyclopentyl-2-methylphenyl)-2-methylisoquinolin-2-ium-6-yl]-dimethyl-phenylsilane
CID 155639280
1-(5-cyclopentyl-2,3-dimethylphenyl)-2,3-dimethyl-6-pentan-3-ylisoquinolin-2-ium
CID 160512883
[1-(5-cyclopentyl-2,3-dimethylphenyl)-2-methylisoquinolin-2-ium-6-yl]-cyclopropyl-dimethylsilane
CID 155638049
4-(5-cyclopentyl-2,3-dimethylphenyl)-1-deuterio-2,3-dimethylbenzo[f]isoquinolin-3-ium
CID 159812092
1-(5-cyclopentyl-2,3-dimethylphenyl)-2,3-dimethyl-7-propan-2-ylisoquinolin-2-ium
CID 157157719
1-(5-cyclohexyl-2-methylphenyl)-2,3-dimethyl-6-phenylisoquinolin-2-ium
CID 158880356
[1-(3-cyclopentyl-2-methyl-5-phenylphenyl)-2-methylisoquinolin-2-ium-6-yl]-dimethyl-phenylsilane
CID 155638011
6-cyclopentyl-2,3-dimethyl-1-(2-methyl-4-phenylphenyl)isoquinolin-2-ium
CID 158215848
[1-(3-cyclopentyl-4-fluoro-2-methyl-5-phenylphenyl)-2-methylisoquinolin-2-ium-6-yl]-dimethyl-phenylsilane
CID 155637662
1-(5-cyclohexyl-2,3-dimethylphenyl)-4-deuterio-2,3-dimethyl-6-(2-methylpropyl)isoquinolin-2-ium
CID 160957793

Frequently Asked Questions

What is the IUPAC name of [1-(5-cyclopentyl-2,3-dimethylphenyl)-2,3-dimethylisoquinolin-2-ium-6-yl]-dimethyl-phenylsilane?
The IUPAC name of [1-(5-cyclopentyl-2,3-dimethylphenyl)-2,3-dimethylisoquinolin-2-ium-6-yl]-dimethyl-phenylsilane (CID 162077271) is [1-(5-cyclopentyl-2,3-dimethylphenyl)-2,3-dimethylisoquinolin-2-ium-6-yl]-dimethyl-phenylsilane.
What is the SMILES notation for [1-(5-cyclopentyl-2,3-dimethylphenyl)-2,3-dimethylisoquinolin-2-ium-6-yl]-dimethyl-phenylsilane?
The canonical SMILES for [1-(5-cyclopentyl-2,3-dimethylphenyl)-2,3-dimethylisoquinolin-2-ium-6-yl]-dimethyl-phenylsilane is Cc1cc(C2CCCC2)cc(-c2c3ccc([Si](C)(C)c4ccccc4)cc3cc(C)[n+]2C)c1C.
What is the InChIKey of [1-(5-cyclopentyl-2,3-dimethylphenyl)-2,3-dimethylisoquinolin-2-ium-6-yl]-dimethyl-phenylsilane?
The InChIKey is JGDJOPCDGFBVPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38NSi/c1-22-18-26(25-12-10-11-13-25)21-31(24(22)3)32-30-17-16-29(20-27(30)19-23(2)33(32)4)34(5,6)28-14-8-7-9-15-28/h7-9,14-21,25H,10-13H2,1-6H3/q+1.
What are the key properties of [1-(5-cyclopentyl-2,3-dimethylphenyl)-2,3-dimethylisoquinolin-2-ium-6-yl]-dimethyl-phenylsilane?
[1-(5-cyclopentyl-2,3-dimethylphenyl)-2,3-dimethylisoquinolin-2-ium-6-yl]-dimethyl-phenylsilane has a molecular weight of 464.75 g/mol, XLogP of 6.74, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-cyclopentyl-2,3-dimethylphenyl)-2,3-dimethylisoquinolin-2-ium-6-yl]-dimethyl-phenylsilane is sourced from PubChem (CID 162077271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).