[1-(3-cyclopentyl-2-methyl-5-phenylphenyl)-2-methylisoquinolin-2-ium-6-yl]-dimethyl-phenylsilane

C36H38NSi+ — CID 155638011

IUPAC[1-(3-cyclopentyl-2-methyl-5-phenylphenyl)-2-methylisoquinolin-2-ium-6-yl]-dimethyl-phenylsilane
SMILESCc1c(-c2c3ccc([Si](C)(C)c4ccccc4)cc3cc[n+]2C)cc(-c2ccccc2)cc1C1CCCC1
InChIInChI=1S/C36H38NSi/c1-26-34(28-15-11-12-16-28)24-30(27-13-7-5-8-14-27)25-35(26)36-33-20-19-32(23-29(33)21-22-37(36)2)38(3,4)31-17-9-6-10-18-31/h5-10,13-14,17-25,28H,11-12,15-16H2,1-4H3/q+1
InChIKeySOXKVRBSNSJZMI-UHFFFAOYSA-N
MW512.79 g/mol
LogP7.79
Rot. Bonds5

About [1-(3-cyclopentyl-2-methyl-5-phenylphenyl)-2-methylisoquinolin-2-ium-6-yl]-dimethyl-phenylsilane

[1-(3-cyclopentyl-2-methyl-5-phenylphenyl)-2-methylisoquinolin-2-ium-6-yl]-dimethyl-phenylsilane (PubChem CID 155638011) has the molecular formula C36H38NSi+ and a molecular weight of 512.79 g/mol. Its IUPAC name is [1-(3-cyclopentyl-2-methyl-5-phenylphenyl)-2-methylisoquinolin-2-ium-6-yl]-dimethyl-phenylsilane.

Molecular Properties

Compound Name[1-(3-cyclopentyl-2-methyl-5-phenylphenyl)-2-methylisoquinolin-2-ium-6-yl]-dimethyl-phenylsilane
PubChem CID155638011
Molecular FormulaC36H38NSi+
Molecular Weight512.79 g/mol
Exact Mass512.28
IUPAC Name[1-(3-cyclopentyl-2-methyl-5-phenylphenyl)-2-methylisoquinolin-2-ium-6-yl]-dimethyl-phenylsilane
SMILESCc1c(-c2c3ccc([Si](C)(C)c4ccccc4)cc3cc[n+]2C)cc(-c2ccccc2)cc1C1CCCC1
InChIInChI=1S/C36H38NSi/c1-26-34(28-15-11-12-16-28)24-30(27-13-7-5-8-14-27)25-35(26)36-33-20-19-32(23-29(33)21-22-37(36)2)38(3,4)31-17-9-6-10-18-31/h5-10,13-14,17-25,28H,11-12,15-16H2,1-4H3/q+1
InChIKeySOXKVRBSNSJZMI-UHFFFAOYSA-N
XLogP7.79
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.79
LogP ≤ 57.79
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-(3-cyclopentyl-2-methyl-5-phenylphenyl)-2-methylisoquinolin-2-ium-6-yl]-dimethyl-phenylsilane with MolForge

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Launch Full Analysis

Related Compounds

[1-(3-cyclopentyl-4-fluoro-2-methyl-5-phenylphenyl)-2-methylisoquinolin-2-ium-6-yl]-dimethyl-phenylsilane
CID 155637662
[3-deuterio-1-(3,5-dicyclopentyl-2-methylphenyl)-2-methylisoquinolin-2-ium-6-yl]-dimethyl-phenylsilane
CID 155639280
[3,4-dideuterio-1-(3,5-dicyclopentyl-2-methylphenyl)-2-methylisoquinolin-2-ium-6-yl]-dimethyl-phenylsilane
CID 157157752
[1-(2,3-dimethyl-5-phenylphenyl)-2-methylisoquinolin-2-ium-6-yl]-trimethylsilane
CID 155637585
cyclopentyl-dimethyl-[2-methyl-1-(2-methyl-5-phenylphenyl)isoquinolin-2-ium-6-yl]silane
CID 155637545
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
cyclohexyl-dimethyl-[2-methyl-1-(2-methyl-5-phenylphenyl)isoquinolin-2-ium-6-yl]silane
CID 155638337
[1-(2,3-dimethyl-5-phenylphenyl)-2-methylisoquinolin-2-ium-6-yl]-tri(propan-2-yl)silane
CID 155637953
[3-deuterio-2-methyl-1-(2-methyl-5-phenyl-3-propan-2-ylphenyl)isoquinolin-2-ium-6-yl]-dimethyl-phenylsilane
CID 155639415
[1-(5-cyclopentyl-2,3-dimethylphenyl)-2,3-dimethylisoquinolin-2-ium-6-yl]-dimethyl-phenylsilane
CID 162077271
6-tert-butyl-1-(3,5-dicyclopentyl-2-methylphenyl)-2-methylisoquinolin-2-ium
CID 155639085
triethyl-[2-methyl-1-(2-methyl-5-phenyl-3-propan-2-ylphenyl)isoquinolin-2-ium-6-yl]silane
CID 155638144

Frequently Asked Questions

What is the IUPAC name of [1-(3-cyclopentyl-2-methyl-5-phenylphenyl)-2-methylisoquinolin-2-ium-6-yl]-dimethyl-phenylsilane?
The IUPAC name of [1-(3-cyclopentyl-2-methyl-5-phenylphenyl)-2-methylisoquinolin-2-ium-6-yl]-dimethyl-phenylsilane (CID 155638011) is [1-(3-cyclopentyl-2-methyl-5-phenylphenyl)-2-methylisoquinolin-2-ium-6-yl]-dimethyl-phenylsilane.
What is the SMILES notation for [1-(3-cyclopentyl-2-methyl-5-phenylphenyl)-2-methylisoquinolin-2-ium-6-yl]-dimethyl-phenylsilane?
The canonical SMILES for [1-(3-cyclopentyl-2-methyl-5-phenylphenyl)-2-methylisoquinolin-2-ium-6-yl]-dimethyl-phenylsilane is Cc1c(-c2c3ccc([Si](C)(C)c4ccccc4)cc3cc[n+]2C)cc(-c2ccccc2)cc1C1CCCC1.
What is the InChIKey of [1-(3-cyclopentyl-2-methyl-5-phenylphenyl)-2-methylisoquinolin-2-ium-6-yl]-dimethyl-phenylsilane?
The InChIKey is SOXKVRBSNSJZMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H38NSi/c1-26-34(28-15-11-12-16-28)24-30(27-13-7-5-8-14-27)25-35(26)36-33-20-19-32(23-29(33)21-22-37(36)2)38(3,4)31-17-9-6-10-18-31/h5-10,13-14,17-25,28H,11-12,15-16H2,1-4H3/q+1.
What are the key properties of [1-(3-cyclopentyl-2-methyl-5-phenylphenyl)-2-methylisoquinolin-2-ium-6-yl]-dimethyl-phenylsilane?
[1-(3-cyclopentyl-2-methyl-5-phenylphenyl)-2-methylisoquinolin-2-ium-6-yl]-dimethyl-phenylsilane has a molecular weight of 512.79 g/mol, XLogP of 7.79, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-cyclopentyl-2-methyl-5-phenylphenyl)-2-methylisoquinolin-2-ium-6-yl]-dimethyl-phenylsilane is sourced from PubChem (CID 155638011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).