[1-[4-(2,6-dimethylphenyl)-2-methylphenyl]-2-methylisoquinolin-2-ium-6-yl]-triphenylsilane

C43H38NSi+ — CID 155637620

IUPAC[1-[4-(2,6-dimethylphenyl)-2-methylphenyl]-2-methylisoquinolin-2-ium-6-yl]-triphenylsilane
SMILESCc1cc(-c2c(C)cccc2C)ccc1-c1c2ccc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)cc2cc[n+]1C
InChIInChI=1S/C43H38NSi/c1-31-15-14-16-32(2)42(31)35-23-25-40(33(3)29-35)43-41-26-24-39(30-34(41)27-28-44(43)4)45(36-17-8-5-9-18-36,37-19-10-6-11-20-37)38-21-12-7-13-22-38/h5-30H,1-4H3/q+1
InChIKeyHHYRVCFURCPZOE-UHFFFAOYSA-N
MW596.87 g/mol
LogP7.30
Rot. Bonds6

About [1-[4-(2,6-dimethylphenyl)-2-methylphenyl]-2-methylisoquinolin-2-ium-6-yl]-triphenylsilane

[1-[4-(2,6-dimethylphenyl)-2-methylphenyl]-2-methylisoquinolin-2-ium-6-yl]-triphenylsilane (PubChem CID 155637620) has the molecular formula C43H38NSi+ and a molecular weight of 596.87 g/mol. Its IUPAC name is [1-[4-(2,6-dimethylphenyl)-2-methylphenyl]-2-methylisoquinolin-2-ium-6-yl]-triphenylsilane.

Molecular Properties

Compound Name[1-[4-(2,6-dimethylphenyl)-2-methylphenyl]-2-methylisoquinolin-2-ium-6-yl]-triphenylsilane
PubChem CID155637620
Molecular FormulaC43H38NSi+
Molecular Weight596.87 g/mol
Exact Mass596.28
IUPAC Name[1-[4-(2,6-dimethylphenyl)-2-methylphenyl]-2-methylisoquinolin-2-ium-6-yl]-triphenylsilane
SMILESCc1cc(-c2c(C)cccc2C)ccc1-c1c2ccc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)cc2cc[n+]1C
InChIInChI=1S/C43H38NSi/c1-31-15-14-16-32(2)42(31)35-23-25-40(33(3)29-35)43-41-26-24-39(30-34(41)27-28-44(43)4)45(36-17-8-5-9-18-36,37-19-10-6-11-20-37)38-21-12-7-13-22-38/h5-30H,1-4H3/q+1
InChIKeyHHYRVCFURCPZOE-UHFFFAOYSA-N
XLogP7.30
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500596.87
LogP ≤ 57.30
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'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

[1-[4-(2,6-dimethylphenyl)-2-methylphenyl]-2-methylisoquinolin-2-ium-6-yl]-triethylsilane
CID 155637731
[1-[4-(2,6-dimethylphenyl)-2-methylphenyl]-2-methylisoquinolin-2-ium-6-yl]-dimethyl-propan-2-ylsilane
CID 155637689
[1-(2,5-dimethylphenyl)-2-methylisoquinolin-2-ium-6-yl]-triphenylsilane
CID 155638155
1-[4-(2,6-dimethylphenyl)-2-methylphenyl]-2-methyl-6-(1-methylsilinan-1-yl)isoquinolin-2-ium
CID 155637702
6-(2-bicyclo[2.2.2]octanyl)-1-[4-(2,6-dimethylphenyl)-2-methylphenyl]-2-methylisoquinolin-2-ium
CID 155638658
2-methyl-1-(2-methyl-4-phenylphenyl)-6-pyridin-3-ylisoquinolin-2-ium
CID 155638920
6-(2,2-dimethylpropyl)-2-methyl-1-(2-methyl-4-phenylphenyl)isoquinolin-2-ium
CID 155639193
[1-(2,3-dimethyl-5-phenylphenyl)-2-methylisoquinolin-2-ium-6-yl]-trimethylsilane
CID 155637585
[1-(2,3-dimethyl-5-phenylphenyl)-2-methylisoquinolin-2-ium-6-yl]-tri(propan-2-yl)silane
CID 155637953
dimethyl-[2-methyl-1-(2-methylphenyl)isoquinolin-2-ium-6-yl]-pyridin-2-ylsilane
CID 155638218
[2-methyl-1-(2-methyl-5-phenylphenyl)isoquinolin-2-ium-6-yl]-tris(2-methylpropyl)silane
CID 155637749
2-methyl-1-(3-methylnaphthalen-2-yl)-6-propan-2-ylisoquinolin-2-ium
CID 155638091

Frequently Asked Questions

What is the IUPAC name of [1-[4-(2,6-dimethylphenyl)-2-methylphenyl]-2-methylisoquinolin-2-ium-6-yl]-triphenylsilane?
The IUPAC name of [1-[4-(2,6-dimethylphenyl)-2-methylphenyl]-2-methylisoquinolin-2-ium-6-yl]-triphenylsilane (CID 155637620) is [1-[4-(2,6-dimethylphenyl)-2-methylphenyl]-2-methylisoquinolin-2-ium-6-yl]-triphenylsilane.
What is the SMILES notation for [1-[4-(2,6-dimethylphenyl)-2-methylphenyl]-2-methylisoquinolin-2-ium-6-yl]-triphenylsilane?
The canonical SMILES for [1-[4-(2,6-dimethylphenyl)-2-methylphenyl]-2-methylisoquinolin-2-ium-6-yl]-triphenylsilane is Cc1cc(-c2c(C)cccc2C)ccc1-c1c2ccc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)cc2cc[n+]1C.
What is the InChIKey of [1-[4-(2,6-dimethylphenyl)-2-methylphenyl]-2-methylisoquinolin-2-ium-6-yl]-triphenylsilane?
The InChIKey is HHYRVCFURCPZOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H38NSi/c1-31-15-14-16-32(2)42(31)35-23-25-40(33(3)29-35)43-41-26-24-39(30-34(41)27-28-44(43)4)45(36-17-8-5-9-18-36,37-19-10-6-11-20-37)38-21-12-7-13-22-38/h5-30H,1-4H3/q+1.
What are the key properties of [1-[4-(2,6-dimethylphenyl)-2-methylphenyl]-2-methylisoquinolin-2-ium-6-yl]-triphenylsilane?
[1-[4-(2,6-dimethylphenyl)-2-methylphenyl]-2-methylisoquinolin-2-ium-6-yl]-triphenylsilane has a molecular weight of 596.87 g/mol, XLogP of 7.30, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(2,6-dimethylphenyl)-2-methylphenyl]-2-methylisoquinolin-2-ium-6-yl]-triphenylsilane is sourced from PubChem (CID 155637620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).