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

C102H108N3Si3+3 — CID 160584594

IUPACtert-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
SMILESCc1cc(C)c(C)c(-c2c3ccc([Si](c4ccccc4)(c4ccccc4)C(C)(C)C)cc3cc[n+]2C)c1.Cc1ccc(C)c(-c2c3ccc([Si](c4ccccc4)(c4ccccc4)C(C)(C)C)cc3cc[n+]2C)c1.Cc1ccccc1-c1c2ccc([Si](c3ccccc3)(c3ccccc3)C(C)(C)C)cc2cc[n+]1C
InChIInChI=1S/C35H38NSi.C34H36NSi.C33H34NSi/c1-25-22-26(2)27(3)33(23-25)34-32-19-18-31(24-28(32)20-21-36(34)7)37(35(4,5)6,29-14-10-8-11-15-29)30-16-12-9-13-17-30;1-25-17-18-26(2)32(23-25)33-31-20-19-30(24-27(31)21-22-35(33)6)36(34(3,4)5,28-13-9-7-10-14-28)29-15-11-8-12-16-29;1-25-14-12-13-19-30(25)32-31-21-20-29(24-26(31)22-23-34(32)5)35(33(2,3)4,27-15-8-6-9-16-27)28-17-10-7-11-18-28/h8-24H,1-7H3;7-24H,1-6H3;6-24H,1-5H3/q3*+1
InChIKeyXAFHHFRCILZCLK-UHFFFAOYSA-N
MW1460.26 g/mol
LogP18.66
Rot. Bonds12

About 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

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 (PubChem CID 160584594) has the molecular formula C102H108N3Si3+3 and a molecular weight of 1460.26 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nametert-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
PubChem CID160584594
Molecular FormulaC102H108N3Si3+3
Molecular Weight1460.26 g/mol
Exact Mass1458.78
IUPAC Nametert-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
SMILESCc1cc(C)c(C)c(-c2c3ccc([Si](c4ccccc4)(c4ccccc4)C(C)(C)C)cc3cc[n+]2C)c1.Cc1ccc(C)c(-c2c3ccc([Si](c4ccccc4)(c4ccccc4)C(C)(C)C)cc3cc[n+]2C)c1.Cc1ccccc1-c1c2ccc([Si](c3ccccc3)(c3ccccc3)C(C)(C)C)cc2cc[n+]1C
InChIInChI=1S/C35H38NSi.C34H36NSi.C33H34NSi/c1-25-22-26(2)27(3)33(23-25)34-32-19-18-31(24-28(32)20-21-36(34)7)37(35(4,5)6,29-14-10-8-11-15-29)30-16-12-9-13-17-30;1-25-17-18-26(2)32(23-25)33-31-20-19-30(24-27(31)21-22-35(33)6)36(34(3,4)5,28-13-9-7-10-14-28)29-15-11-8-12-16-29;1-25-14-12-13-19-30(25)32-31-21-20-29(24-26(31)22-23-34(32)5)35(33(2,3)4,27-15-8-6-9-16-27)28-17-10-7-11-18-28/h8-24H,1-7H3;7-24H,1-6H3;6-24H,1-5H3/q3*+1
InChIKeyXAFHHFRCILZCLK-UHFFFAOYSA-N
XLogP18.66
TPSA11.64 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms108
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001460.26
LogP ≤ 518.66
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'}

Analyze 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 with MolForge

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Related Compounds

[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
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
[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
tert-butyl-[1-(5-cyclohexyl-2-methylphenyl)-2-methylisoquinolin-2-ium-6-yl]-diphenylsilane
CID 155637999
cyclopropyl-dimethyl-[2-methyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium-6-yl]silane
CID 155637695
[1-(2,3-dimethyl-5-phenylphenyl)-2-methylisoquinolin-2-ium-6-yl]-trimethylsilane
CID 155637585
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
dimethyl-[2-methyl-1-(2-methylphenyl)isoquinolin-2-ium-6-yl]-pyridin-2-ylsilane
CID 155638218
[1-[2,3-dimethyl-5-(2,2,2-trifluoroethyl)phenyl]-2-methylisoquinolin-2-ium-6-yl]-methyl-diphenylsilane
CID 155638176
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
triethyl-[3-methyl-4-(2,3,5-trimethylphenyl)benzo[f]isoquinolin-3-ium-8-yl]silane
CID 166015601

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc(C)c(C)c(-c2c3ccc([Si](c4ccccc4)(c4ccccc4)C(C)(C)C)cc3cc[n+]2C)c1.Cc1ccc(C)c(-c2c3ccc([Si](c4ccccc4)(c4ccccc4)C(C)(C)C)cc3cc[n+]2C)c1.Cc1ccccc1-c1c2ccc([Si](c3ccccc3)(c3ccccc3)C(C)(C)C)cc2cc[n+]1C.
What is the InChIKey of 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?
The InChIKey is XAFHHFRCILZCLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H38NSi.C34H36NSi.C33H34NSi/c1-25-22-26(2)27(3)33(23-25)34-32-19-18-31(24-28(32)20-21-36(34)7)37(35(4,5)6,29-14-10-8-11-15-29)30-16-12-9-13-17-30;1-25-17-18-26(2)32(23-25)33-31-20-19-30(24-27(31)21-22-35(33)6)36(34(3,4)5,28-13-9-7-10-14-28)29-15-11-8-12-16-29;1-25-14-12-13-19-30(25)32-31-21-20-29(24-26(31)22-23-34(32)5)35(33(2,3)4,27-15-8-6-9-16-27)28-17-10-7-11-18-28/h8-24H,1-7H3;7-24H,1-6H3;6-24H,1-5H3/q3*+1.
What are the key properties of 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?
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 has a molecular weight of 1460.26 g/mol, XLogP of 18.66, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 160584594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).