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

C75H81N6Si3+3 — CID 161025655

About 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

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 (PubChem CID 161025655) has the molecular formula C75H81N6Si3+3 and a molecular weight of 1150.77 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 161025655
• Molecular Formula: C75H81N6Si3+3
• Molecular Weight: 1150.77 g/mol
• Exact Mass: 1149.58
• IUPAC Name: 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
• SMILES: Cc1cc(C)c(C)c(-c2c3ccc([Si](C)(C)c4ccccn4)cc3cc[n+]2C)c1.Cc1ccc(C)c(-c2c3ccc([Si](C)(C)c4ccccn4)cc3cc[n+]2C)c1.Cc1ccccc1-c1c2ccc([Si](C)(C)c3ccccn3)cc2cc[n+]1C
• InChI: InChI=1S/C26H29N2Si.C25H27N2Si.C24H25N2Si/c1-18-15-19(2)20(3)24(16-18)26-23-11-10-22(17-21(23)12-14-28(26)4)29(5,6)25-9-7-8-13-27-25;1-18-9-10-19(2)23(16-18)25-22-12-11-21(17-20(22)13-15-27(25)3)28(4,5)24-8-6-7-14-26-24;1-18-9-5-6-10-21(18)24-22-13-12-20(17-19(22)14-16-26(24)2)27(3,4)23-11-7-8-15-25-23/h7-17H,1-6H3;6-17H,1-5H3;5-17H,1-4H3/q3*+1
• InChIKey: GHYGMTDMLVUWFK-UHFFFAOYSA-N
• XLogP: 12.50
• TPSA: 50.31 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1150.77
LogP ≤ 5	12.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is Cc1cc(C)c(C)c(-c2c3ccc([Si](C)(C)c4ccccn4)cc3cc[n+]2C)c1.Cc1ccc(C)c(-c2c3ccc([Si](C)(C)c4ccccn4)cc3cc[n+]2C)c1.Cc1ccccc1-c1c2ccc([Si](C)(C)c3ccccn3)cc2cc[n+]1C.

What is the InChIKey of 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?

The InChIKey is GHYGMTDMLVUWFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N2Si.C25H27N2Si.C24H25N2Si/c1-18-15-19(2)20(3)24(16-18)26-23-11-10-22(17-21(23)12-14-28(26)4)29(5,6)25-9-7-8-13-27-25;1-18-9-10-19(2)23(16-18)25-22-12-11-21(17-20(22)13-15-27(25)3)28(4,5)24-8-6-7-14-26-24;1-18-9-5-6-10-21(18)24-22-13-12-20(17-19(22)14-16-26(24)2)27(3,4)23-11-7-8-15-25-23/h7-17H,1-6H3;6-17H,1-5H3;5-17H,1-4H3/q3*+1.

What are the key properties of 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?

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 has a molecular weight of 1150.77 g/mol, XLogP of 12.50, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 161025655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).