[1-(2,5-dimethylphenyl)-2-methylisoquinolin-2-ium-6-yl]-trimethylsilane;trimethyl-[2-methyl-1-(2-methylphenyl)isoquinolin-2-ium-6-yl]silane;trimethyl-[2-methyl-1-(2,3,4,5-tetramethylphenyl)isoquinolin-2-ium-6-yl]silane;trimethyl-[2-methyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium-6-yl]silane

C86H108N4Si4+4 — CID 161105923

IUPAC[1-(2,5-dimethylphenyl)-2-methylisoquinolin-2-ium-6-yl]-trimethylsilane;trimethyl-[2-methyl-1-(2-methylphenyl)isoquinolin-2-ium-6-yl]silane;trimethyl-[2-methyl-1-(2,3,4,5-tetramethylphenyl)isoquinolin-2-ium-6-yl]silane;trimethyl-[2-methyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium-6-yl]silane
SMILESCc1cc(-c2c3ccc([Si](C)(C)C)cc3cc[n+]2C)c(C)c(C)c1C.Cc1cc(C)c(C)c(-c2c3ccc([Si](C)(C)C)cc3cc[n+]2C)c1.Cc1ccc(C)c(-c2c3ccc([Si](C)(C)C)cc3cc[n+]2C)c1.Cc1ccccc1-c1c2ccc([Si](C)(C)C)cc2cc[n+]1C
InChIInChI=1S/C23H30NSi.C22H28NSi.C21H26NSi.C20H24NSi/c1-15-13-22(18(4)17(3)16(15)2)23-21-10-9-20(25(6,7)8)14-19(21)11-12-24(23)5;1-15-12-16(2)17(3)21(13-15)22-20-9-8-19(24(5,6)7)14-18(20)10-11-23(22)4;1-15-7-8-16(2)20(13-15)21-19-10-9-18(23(4,5)6)14-17(19)11-12-22(21)3;1-15-8-6-7-9-18(15)20-19-11-10-17(22(3,4)5)14-16(19)12-13-21(20)2/h9-14H,1-8H3;8-14H,1-7H3;7-14H,1-6H3;6-14H,1-5H3/q4*+1
InChIKeyQYPMKLHOQDAULF-UHFFFAOYSA-N
MW1310.18 g/mol
LogP18.59
Rot. Bonds8

About [1-(2,5-dimethylphenyl)-2-methylisoquinolin-2-ium-6-yl]-trimethylsilane;trimethyl-[2-methyl-1-(2-methylphenyl)isoquinolin-2-ium-6-yl]silane;trimethyl-[2-methyl-1-(2,3,4,5-tetramethylphenyl)isoquinolin-2-ium-6-yl]silane;trimethyl-[2-methyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium-6-yl]silane

[1-(2,5-dimethylphenyl)-2-methylisoquinolin-2-ium-6-yl]-trimethylsilane;trimethyl-[2-methyl-1-(2-methylphenyl)isoquinolin-2-ium-6-yl]silane;trimethyl-[2-methyl-1-(2,3,4,5-tetramethylphenyl)isoquinolin-2-ium-6-yl]silane;trimethyl-[2-methyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium-6-yl]silane (PubChem CID 161105923) has the molecular formula C86H108N4Si4+4 and a molecular weight of 1310.18 g/mol. Its IUPAC name is [1-(2,5-dimethylphenyl)-2-methylisoquinolin-2-ium-6-yl]-trimethylsilane;trimethyl-[2-methyl-1-(2-methylphenyl)isoquinolin-2-ium-6-yl]silane;trimethyl-[2-methyl-1-(2,3,4,5-tetramethylphenyl)isoquinolin-2-ium-6-yl]silane;trimethyl-[2-methyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium-6-yl]silane.

Molecular Properties

Compound Name[1-(2,5-dimethylphenyl)-2-methylisoquinolin-2-ium-6-yl]-trimethylsilane;trimethyl-[2-methyl-1-(2-methylphenyl)isoquinolin-2-ium-6-yl]silane;trimethyl-[2-methyl-1-(2,3,4,5-tetramethylphenyl)isoquinolin-2-ium-6-yl]silane;trimethyl-[2-methyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium-6-yl]silane
PubChem CID161105923
Molecular FormulaC86H108N4Si4+4
Molecular Weight1310.18 g/mol
Exact Mass1308.76
IUPAC Name[1-(2,5-dimethylphenyl)-2-methylisoquinolin-2-ium-6-yl]-trimethylsilane;trimethyl-[2-methyl-1-(2-methylphenyl)isoquinolin-2-ium-6-yl]silane;trimethyl-[2-methyl-1-(2,3,4,5-tetramethylphenyl)isoquinolin-2-ium-6-yl]silane;trimethyl-[2-methyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium-6-yl]silane
SMILESCc1cc(-c2c3ccc([Si](C)(C)C)cc3cc[n+]2C)c(C)c(C)c1C.Cc1cc(C)c(C)c(-c2c3ccc([Si](C)(C)C)cc3cc[n+]2C)c1.Cc1ccc(C)c(-c2c3ccc([Si](C)(C)C)cc3cc[n+]2C)c1.Cc1ccccc1-c1c2ccc([Si](C)(C)C)cc2cc[n+]1C
InChIInChI=1S/C23H30NSi.C22H28NSi.C21H26NSi.C20H24NSi/c1-15-13-22(18(4)17(3)16(15)2)23-21-10-9-20(25(6,7)8)14-19(21)11-12-24(23)5;1-15-12-16(2)17(3)21(13-15)22-20-9-8-19(24(5,6)7)14-18(20)10-11-23(22)4;1-15-7-8-16(2)20(13-15)21-19-10-9-18(23(4,5)6)14-17(19)11-12-22(21)3;1-15-8-6-7-9-18(15)20-19-11-10-17(22(3,4)5)14-16(19)12-13-21(20)2/h9-14H,1-8H3;8-14H,1-7H3;7-14H,1-6H3;6-14H,1-5H3/q4*+1
InChIKeyQYPMKLHOQDAULF-UHFFFAOYSA-N
XLogP18.59
TPSA15.52 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms94
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001310.18
LogP ≤ 518.59
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-(2,5-dimethylphenyl)-2-methylisoquinolin-2-ium-6-yl]-trimethylsilane;trimethyl-[2-methyl-1-(2-methylphenyl)isoquinolin-2-ium-6-yl]silane;trimethyl-[2-methyl-1-(2,3,4,5-tetramethylphenyl)isoquinolin-2-ium-6-yl]silane;trimethyl-[2-methyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium-6-yl]silane with MolForge

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Related Compounds

dimethyl-[2-methyl-1-(2-methylphenyl)isoquinolin-2-ium-6-yl]-pyridin-2-ylsilane;dimethyl-[2-methyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium-6-yl]-pyridin-2-ylsilane;[1-(2,5-dimethylphenyl)-2-methylisoquinolin-2-ium-6-yl]-dimethyl-pyridin-2-ylsilane
CID 161025655
tert-butyl-[1-(2,5-dimethylphenyl)-2-methylisoquinolin-2-ium-6-yl]-diphenylsilane;tert-butyl-[2-methyl-1-(2-methylphenyl)isoquinolin-2-ium-6-yl]-diphenylsilane;tert-butyl-[2-methyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium-6-yl]-diphenylsilane
CID 160584594
[1-(2,3-dimethyl-5-phenylphenyl)-2-methylisoquinolin-2-ium-6-yl]-trimethylsilane
CID 155637585
[1-(2,5-dimethylphenyl)-2-methylisoquinolin-2-ium-6-yl]-triphenylsilane
CID 155638155
ditert-butyl-[1-(2,5-dimethylphenyl)-2-methylisoquinolin-2-ium-6-yl]-methylsilane
CID 155637581
cyclopropyl-dimethyl-[2-methyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium-6-yl]silane
CID 155637695
dimethyl-[2-methyl-1-(2-methylphenyl)isoquinolin-2-ium-6-yl]-pyridin-2-ylsilane
CID 155638218
triethyl-[3-methyl-4-(2,3,5-trimethylphenyl)benzo[f]isoquinolin-3-ium-8-yl]silane
CID 166015601
[3-deuterio-2-methyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium-6-yl]-trimethylsilane;[2,3-dimethyl-1-(3-methylnaphthalen-2-yl)isoquinolin-2-ium-6-yl]-trimethylsilane;[2,3-dimethyl-1-(3,9,9-trimethylfluoren-2-yl)isoquinolin-2-ium-6-yl]-trimethylsilane;[1-(4-fluoro-2,3,5-trimethylphenyl)-2,3-dimethylisoquinolin-2-ium-6-yl]-trimethylsilane;2,3,6-trimethyl-1-(2-methylphenyl)isoquinolin-2-ium
CID 160736200
2,3-dimethyl-1-(2-methylphenyl)isoquinolin-2-ium;2,4-dimethyl-1-(2-methylphenyl)isoquinolin-2-ium;2,5-dimethyl-1-(2-methylphenyl)isoquinolin-2-ium;2,6-dimethyl-1-(2-methylphenyl)isoquinolin-2-ium;2,7-dimethyl-1-(2-methylphenyl)isoquinolin-2-ium;2-methyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium
CID 159891577
1-(2,5-dimethylphenyl)-2-methyl-6-(2-methylpropyl)isoquinolin-2-ium;2-methyl-1-(3-methylnaphthalen-2-yl)-6-propan-2-ylisoquinolin-2-ium;2-methyl-1-(2-methylphenyl)-6-(2-methylpropyl)isoquinolin-2-ium;2-methyl-6-propan-2-yl-1-(3,9,9-trimethylfluoren-2-yl)isoquinolin-2-ium;2-methyl-6-propan-2-yl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium
CID 158426235
1-(2,3-dimethyl-5-propan-2-ylphenyl)-2,6-dimethylisoquinolin-2-ium
CID 155637639

Frequently Asked Questions

What is the IUPAC name of [1-(2,5-dimethylphenyl)-2-methylisoquinolin-2-ium-6-yl]-trimethylsilane;trimethyl-[2-methyl-1-(2-methylphenyl)isoquinolin-2-ium-6-yl]silane;trimethyl-[2-methyl-1-(2,3,4,5-tetramethylphenyl)isoquinolin-2-ium-6-yl]silane;trimethyl-[2-methyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium-6-yl]silane?
The IUPAC name of [1-(2,5-dimethylphenyl)-2-methylisoquinolin-2-ium-6-yl]-trimethylsilane;trimethyl-[2-methyl-1-(2-methylphenyl)isoquinolin-2-ium-6-yl]silane;trimethyl-[2-methyl-1-(2,3,4,5-tetramethylphenyl)isoquinolin-2-ium-6-yl]silane;trimethyl-[2-methyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium-6-yl]silane (CID 161105923) is [1-(2,5-dimethylphenyl)-2-methylisoquinolin-2-ium-6-yl]-trimethylsilane;trimethyl-[2-methyl-1-(2-methylphenyl)isoquinolin-2-ium-6-yl]silane;trimethyl-[2-methyl-1-(2,3,4,5-tetramethylphenyl)isoquinolin-2-ium-6-yl]silane;trimethyl-[2-methyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium-6-yl]silane.
What is the SMILES notation for [1-(2,5-dimethylphenyl)-2-methylisoquinolin-2-ium-6-yl]-trimethylsilane;trimethyl-[2-methyl-1-(2-methylphenyl)isoquinolin-2-ium-6-yl]silane;trimethyl-[2-methyl-1-(2,3,4,5-tetramethylphenyl)isoquinolin-2-ium-6-yl]silane;trimethyl-[2-methyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium-6-yl]silane?
The canonical SMILES for [1-(2,5-dimethylphenyl)-2-methylisoquinolin-2-ium-6-yl]-trimethylsilane;trimethyl-[2-methyl-1-(2-methylphenyl)isoquinolin-2-ium-6-yl]silane;trimethyl-[2-methyl-1-(2,3,4,5-tetramethylphenyl)isoquinolin-2-ium-6-yl]silane;trimethyl-[2-methyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium-6-yl]silane is Cc1cc(-c2c3ccc([Si](C)(C)C)cc3cc[n+]2C)c(C)c(C)c1C.Cc1cc(C)c(C)c(-c2c3ccc([Si](C)(C)C)cc3cc[n+]2C)c1.Cc1ccc(C)c(-c2c3ccc([Si](C)(C)C)cc3cc[n+]2C)c1.Cc1ccccc1-c1c2ccc([Si](C)(C)C)cc2cc[n+]1C.
What is the InChIKey of [1-(2,5-dimethylphenyl)-2-methylisoquinolin-2-ium-6-yl]-trimethylsilane;trimethyl-[2-methyl-1-(2-methylphenyl)isoquinolin-2-ium-6-yl]silane;trimethyl-[2-methyl-1-(2,3,4,5-tetramethylphenyl)isoquinolin-2-ium-6-yl]silane;trimethyl-[2-methyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium-6-yl]silane?
The InChIKey is QYPMKLHOQDAULF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30NSi.C22H28NSi.C21H26NSi.C20H24NSi/c1-15-13-22(18(4)17(3)16(15)2)23-21-10-9-20(25(6,7)8)14-19(21)11-12-24(23)5;1-15-12-16(2)17(3)21(13-15)22-20-9-8-19(24(5,6)7)14-18(20)10-11-23(22)4;1-15-7-8-16(2)20(13-15)21-19-10-9-18(23(4,5)6)14-17(19)11-12-22(21)3;1-15-8-6-7-9-18(15)20-19-11-10-17(22(3,4)5)14-16(19)12-13-21(20)2/h9-14H,1-8H3;8-14H,1-7H3;7-14H,1-6H3;6-14H,1-5H3/q4*+1.
What are the key properties of [1-(2,5-dimethylphenyl)-2-methylisoquinolin-2-ium-6-yl]-trimethylsilane;trimethyl-[2-methyl-1-(2-methylphenyl)isoquinolin-2-ium-6-yl]silane;trimethyl-[2-methyl-1-(2,3,4,5-tetramethylphenyl)isoquinolin-2-ium-6-yl]silane;trimethyl-[2-methyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium-6-yl]silane?
[1-(2,5-dimethylphenyl)-2-methylisoquinolin-2-ium-6-yl]-trimethylsilane;trimethyl-[2-methyl-1-(2-methylphenyl)isoquinolin-2-ium-6-yl]silane;trimethyl-[2-methyl-1-(2,3,4,5-tetramethylphenyl)isoquinolin-2-ium-6-yl]silane;trimethyl-[2-methyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium-6-yl]silane has a molecular weight of 1310.18 g/mol, XLogP of 18.59, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,5-dimethylphenyl)-2-methylisoquinolin-2-ium-6-yl]-trimethylsilane;trimethyl-[2-methyl-1-(2-methylphenyl)isoquinolin-2-ium-6-yl]silane;trimethyl-[2-methyl-1-(2,3,4,5-tetramethylphenyl)isoquinolin-2-ium-6-yl]silane;trimethyl-[2-methyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium-6-yl]silane is sourced from PubChem (CID 161105923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).