[1-(5-tert-butyl-2,3-dimethylphenyl)-2-methylisoquinolin-2-ium-6-yl]-triethylsilane;[1-(5-tert-butyl-2-methylphenyl)-2-methylisoquinolin-2-ium-6-yl]-triethylsilane;[1-(3,5-ditert-butyl-2-methylphenyl)-2-methylisoquinolin-2-ium-6-yl]-triethylsilane

C86H124N3Si3+3 — CID 159231593

IUPAC[1-(5-tert-butyl-2,3-dimethylphenyl)-2-methylisoquinolin-2-ium-6-yl]-triethylsilane;[1-(5-tert-butyl-2-methylphenyl)-2-methylisoquinolin-2-ium-6-yl]-triethylsilane;[1-(3,5-ditert-butyl-2-methylphenyl)-2-methylisoquinolin-2-ium-6-yl]-triethylsilane
SMILESCC[Si](CC)(CC)c1ccc2c(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3C)[n+](C)ccc2c1.CC[Si](CC)(CC)c1ccc2c(-c3cc(C(C)(C)C)cc(C)c3C)[n+](C)ccc2c1.CC[Si](CC)(CC)c1ccc2c(-c3cc(C(C)(C)C)ccc3C)[n+](C)ccc2c1
InChIInChI=1S/C31H46NSi.C28H40NSi.C27H38NSi/c1-12-33(13-2,14-3)25-15-16-26-23(19-25)17-18-32(11)29(26)27-20-24(30(5,6)7)21-28(22(27)4)31(8,9)10;1-10-30(11-2,12-3)24-13-14-25-22(18-24)15-16-29(9)27(25)26-19-23(28(6,7)8)17-20(4)21(26)5;1-9-29(10-2,11-3)23-14-15-24-21(18-23)16-17-28(8)26(24)25-19-22(27(5,6)7)13-12-20(25)4/h15-21H,12-14H2,1-11H3;13-19H,10-12H2,1-9H3;12-19H,9-11H2,1-8H3/q3*+1
InChIKeyQYTDOFWRHBADHO-UHFFFAOYSA-N
MW1284.22 g/mol
LogP21.56
Rot. Bonds15

About [1-(5-tert-butyl-2,3-dimethylphenyl)-2-methylisoquinolin-2-ium-6-yl]-triethylsilane;[1-(5-tert-butyl-2-methylphenyl)-2-methylisoquinolin-2-ium-6-yl]-triethylsilane;[1-(3,5-ditert-butyl-2-methylphenyl)-2-methylisoquinolin-2-ium-6-yl]-triethylsilane

[1-(5-tert-butyl-2,3-dimethylphenyl)-2-methylisoquinolin-2-ium-6-yl]-triethylsilane;[1-(5-tert-butyl-2-methylphenyl)-2-methylisoquinolin-2-ium-6-yl]-triethylsilane;[1-(3,5-ditert-butyl-2-methylphenyl)-2-methylisoquinolin-2-ium-6-yl]-triethylsilane (PubChem CID 159231593) has the molecular formula C86H124N3Si3+3 and a molecular weight of 1284.22 g/mol. Its IUPAC name is [1-(5-tert-butyl-2,3-dimethylphenyl)-2-methylisoquinolin-2-ium-6-yl]-triethylsilane;[1-(5-tert-butyl-2-methylphenyl)-2-methylisoquinolin-2-ium-6-yl]-triethylsilane;[1-(3,5-ditert-butyl-2-methylphenyl)-2-methylisoquinolin-2-ium-6-yl]-triethylsilane.

Molecular Properties

Compound Name[1-(5-tert-butyl-2,3-dimethylphenyl)-2-methylisoquinolin-2-ium-6-yl]-triethylsilane;[1-(5-tert-butyl-2-methylphenyl)-2-methylisoquinolin-2-ium-6-yl]-triethylsilane;[1-(3,5-ditert-butyl-2-methylphenyl)-2-methylisoquinolin-2-ium-6-yl]-triethylsilane
PubChem CID159231593
Molecular FormulaC86H124N3Si3+3
Molecular Weight1284.22 g/mol
Exact Mass1282.91
IUPAC Name[1-(5-tert-butyl-2,3-dimethylphenyl)-2-methylisoquinolin-2-ium-6-yl]-triethylsilane;[1-(5-tert-butyl-2-methylphenyl)-2-methylisoquinolin-2-ium-6-yl]-triethylsilane;[1-(3,5-ditert-butyl-2-methylphenyl)-2-methylisoquinolin-2-ium-6-yl]-triethylsilane
SMILESCC[Si](CC)(CC)c1ccc2c(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3C)[n+](C)ccc2c1.CC[Si](CC)(CC)c1ccc2c(-c3cc(C(C)(C)C)cc(C)c3C)[n+](C)ccc2c1.CC[Si](CC)(CC)c1ccc2c(-c3cc(C(C)(C)C)ccc3C)[n+](C)ccc2c1
InChIInChI=1S/C31H46NSi.C28H40NSi.C27H38NSi/c1-12-33(13-2,14-3)25-15-16-26-23(19-25)17-18-32(11)29(26)27-20-24(30(5,6)7)21-28(22(27)4)31(8,9)10;1-10-30(11-2,12-3)24-13-14-25-22(18-24)15-16-29(9)27(25)26-19-23(28(6,7)8)17-20(4)21(26)5;1-9-29(10-2,11-3)23-14-15-24-21(18-23)16-17-28(8)26(24)25-19-22(27(5,6)7)13-12-20(25)4/h15-21H,12-14H2,1-11H3;13-19H,10-12H2,1-9H3;12-19H,9-11H2,1-8H3/q3*+1
InChIKeyQYTDOFWRHBADHO-UHFFFAOYSA-N
XLogP21.56
TPSA11.64 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms92
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001284.22
LogP ≤ 521.56
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-tert-butyl-2,3-dimethylphenyl)-2-methylisoquinolin-2-ium-6-yl]-triethylsilane;[1-(5-tert-butyl-2-methylphenyl)-2-methylisoquinolin-2-ium-6-yl]-triethylsilane;[1-(3,5-ditert-butyl-2-methylphenyl)-2-methylisoquinolin-2-ium-6-yl]-triethylsilane with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl-[1-(5-tert-butyl-2,3-dimethylphenyl)-2-methylisoquinolin-2-ium-6-yl]-dimethylsilane;tert-butyl-[1-(5-tert-butyl-2-methylphenyl)-2-methylisoquinolin-2-ium-6-yl]-dimethylsilane;tert-butyl-[1-(3,5-ditert-butyl-2-methylphenyl)-2-methylisoquinolin-2-ium-6-yl]-dimethylsilane
CID 159014598
tert-butyl-[1-(3,5-ditert-butyl-2-methylphenyl)-2-methylisoquinolin-2-ium-6-yl]-diethylsilane
CID 155637945
triethyl-[3-methyl-4-(2,3,5-trimethylphenyl)benzo[f]isoquinolin-3-ium-8-yl]silane
CID 166015601
2,3,6-trimethyl-4-(2-methyl-6-triethylsilylisoquinolin-2-ium-1-yl)benzonitrile
CID 155638177
6-tert-butyl-3-deuterio-1-(3,5-ditert-butyl-2-methylphenyl)-2-methylisoquinolin-2-ium
CID 155639410
1-(3,5-ditert-butyl-2-methylphenyl)-2-methyl-6-phenylisoquinolin-2-ium
CID 155638811
[1-(5-tert-butyl-2,3-dimethylphenyl)-3-deuterio-2-methylisoquinolin-2-ium-6-yl]-trimethylsilane
CID 176592449
[1-(2,3-dimethyl-5-propan-2-ylphenyl)-2-methylisoquinolin-2-ium-6-yl]-tris(2-methylpropyl)silane
CID 155637578
6-cyclopentyl-1-(3,5-ditert-butyl-2-methylphenyl)-2-methylisoquinolin-2-ium
CID 155638889
tert-butyl-diethyl-[1-(5-ethyl-2,3,4-trimethylphenyl)-2-methylisoquinolin-2-ium-6-yl]silane
CID 155637750
[1-(2,3-dimethyl-5-propan-2-ylphenyl)-2-methylisoquinolin-2-ium-6-yl]-(2,2-dimethylpropyl)-dimethylsilane
CID 155637876
tert-butyl-[1-(5-cyclopentyl-2-methylphenyl)-2-methylisoquinolin-2-ium-6-yl]-diethylsilane
CID 155638086

Frequently Asked Questions

What is the IUPAC name of [1-(5-tert-butyl-2,3-dimethylphenyl)-2-methylisoquinolin-2-ium-6-yl]-triethylsilane;[1-(5-tert-butyl-2-methylphenyl)-2-methylisoquinolin-2-ium-6-yl]-triethylsilane;[1-(3,5-ditert-butyl-2-methylphenyl)-2-methylisoquinolin-2-ium-6-yl]-triethylsilane?
The IUPAC name of [1-(5-tert-butyl-2,3-dimethylphenyl)-2-methylisoquinolin-2-ium-6-yl]-triethylsilane;[1-(5-tert-butyl-2-methylphenyl)-2-methylisoquinolin-2-ium-6-yl]-triethylsilane;[1-(3,5-ditert-butyl-2-methylphenyl)-2-methylisoquinolin-2-ium-6-yl]-triethylsilane (CID 159231593) is [1-(5-tert-butyl-2,3-dimethylphenyl)-2-methylisoquinolin-2-ium-6-yl]-triethylsilane;[1-(5-tert-butyl-2-methylphenyl)-2-methylisoquinolin-2-ium-6-yl]-triethylsilane;[1-(3,5-ditert-butyl-2-methylphenyl)-2-methylisoquinolin-2-ium-6-yl]-triethylsilane.
What is the SMILES notation for [1-(5-tert-butyl-2,3-dimethylphenyl)-2-methylisoquinolin-2-ium-6-yl]-triethylsilane;[1-(5-tert-butyl-2-methylphenyl)-2-methylisoquinolin-2-ium-6-yl]-triethylsilane;[1-(3,5-ditert-butyl-2-methylphenyl)-2-methylisoquinolin-2-ium-6-yl]-triethylsilane?
The canonical SMILES for [1-(5-tert-butyl-2,3-dimethylphenyl)-2-methylisoquinolin-2-ium-6-yl]-triethylsilane;[1-(5-tert-butyl-2-methylphenyl)-2-methylisoquinolin-2-ium-6-yl]-triethylsilane;[1-(3,5-ditert-butyl-2-methylphenyl)-2-methylisoquinolin-2-ium-6-yl]-triethylsilane is CC[Si](CC)(CC)c1ccc2c(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3C)[n+](C)ccc2c1.CC[Si](CC)(CC)c1ccc2c(-c3cc(C(C)(C)C)cc(C)c3C)[n+](C)ccc2c1.CC[Si](CC)(CC)c1ccc2c(-c3cc(C(C)(C)C)ccc3C)[n+](C)ccc2c1.
What is the InChIKey of [1-(5-tert-butyl-2,3-dimethylphenyl)-2-methylisoquinolin-2-ium-6-yl]-triethylsilane;[1-(5-tert-butyl-2-methylphenyl)-2-methylisoquinolin-2-ium-6-yl]-triethylsilane;[1-(3,5-ditert-butyl-2-methylphenyl)-2-methylisoquinolin-2-ium-6-yl]-triethylsilane?
The InChIKey is QYTDOFWRHBADHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H46NSi.C28H40NSi.C27H38NSi/c1-12-33(13-2,14-3)25-15-16-26-23(19-25)17-18-32(11)29(26)27-20-24(30(5,6)7)21-28(22(27)4)31(8,9)10;1-10-30(11-2,12-3)24-13-14-25-22(18-24)15-16-29(9)27(25)26-19-23(28(6,7)8)17-20(4)21(26)5;1-9-29(10-2,11-3)23-14-15-24-21(18-23)16-17-28(8)26(24)25-19-22(27(5,6)7)13-12-20(25)4/h15-21H,12-14H2,1-11H3;13-19H,10-12H2,1-9H3;12-19H,9-11H2,1-8H3/q3*+1.
What are the key properties of [1-(5-tert-butyl-2,3-dimethylphenyl)-2-methylisoquinolin-2-ium-6-yl]-triethylsilane;[1-(5-tert-butyl-2-methylphenyl)-2-methylisoquinolin-2-ium-6-yl]-triethylsilane;[1-(3,5-ditert-butyl-2-methylphenyl)-2-methylisoquinolin-2-ium-6-yl]-triethylsilane?
[1-(5-tert-butyl-2,3-dimethylphenyl)-2-methylisoquinolin-2-ium-6-yl]-triethylsilane;[1-(5-tert-butyl-2-methylphenyl)-2-methylisoquinolin-2-ium-6-yl]-triethylsilane;[1-(3,5-ditert-butyl-2-methylphenyl)-2-methylisoquinolin-2-ium-6-yl]-triethylsilane has a molecular weight of 1284.22 g/mol, XLogP of 21.56, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-tert-butyl-2,3-dimethylphenyl)-2-methylisoquinolin-2-ium-6-yl]-triethylsilane;[1-(5-tert-butyl-2-methylphenyl)-2-methylisoquinolin-2-ium-6-yl]-triethylsilane;[1-(3,5-ditert-butyl-2-methylphenyl)-2-methylisoquinolin-2-ium-6-yl]-triethylsilane is sourced from PubChem (CID 159231593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).