3-deuterio-6-(1,1-dimethylsilinan-4-yl)-2-methyl-1-(2-methyl-5-phenyl-3-propan-2-ylphenyl)isoquinolin-2-ium;1-(2,3-dimethyl-5-phenylphenyl)-6-(1,1-dimethylsilinan-4-yl)-2,3-dimethylisoquinolin-2-ium;6-(1,1-dimethylsilinan-4-yl)-2,3-dimethyl-1-(2-methyl-5-phenylphenyl)isoquinolin-2-ium;6-(1,1-dimethylsilinan-4-yl)-1-(4-fluoro-2-methyl-5-phenylphenyl)-2,3-dimethylisoquinolin-2-ium;methane

C128H153FN4Si4+4 — CID 159939574

About 3-deuterio-6-(1,1-dimethylsilinan-4-yl)-2-methyl-1-(2-methyl-5-phenyl-3-propan-2-ylphenyl)isoquinolin-2-ium;1-(2,3-dimethyl-5-phenylphenyl)-6-(1,1-dimethylsilinan-4-yl)-2,3-dimethylisoquinolin-2-ium;6-(1,1-dimethylsilinan-4-yl)-2,3-dimethyl-1-(2-methyl-5-phenylphenyl)isoquinolin-2-ium;6-(1,1-dimethylsilinan-4-yl)-1-(4-fluoro-2-methyl-5-phenylphenyl)-2,3-dimethylisoquinolin-2-ium;methane

3-deuterio-6-(1,1-dimethylsilinan-4-yl)-2-methyl-1-(2-methyl-5-phenyl-3-propan-2-ylphenyl)isoquinolin-2-ium;1-(2,3-dimethyl-5-phenylphenyl)-6-(1,1-dimethylsilinan-4-yl)-2,3-dimethylisoquinolin-2-ium;6-(1,1-dimethylsilinan-4-yl)-2,3-dimethyl-1-(2-methyl-5-phenylphenyl)isoquinolin-2-ium;6-(1,1-dimethylsilinan-4-yl)-1-(4-fluoro-2-methyl-5-phenylphenyl)-2,3-dimethylisoquinolin-2-ium;methane (PubChem CID 159939574) has the molecular formula C128H153FN4Si4+4 and a molecular weight of 1880.01 g/mol. Its IUPAC name is 3-deuterio-6-(1,1-dimethylsilinan-4-yl)-2-methyl-1-(2-methyl-5-phenyl-3-propan-2-ylphenyl)isoquinolin-2-ium;1-(2,3-dimethyl-5-phenylphenyl)-6-(1,1-dimethylsilinan-4-yl)-2,3-dimethylisoquinolin-2-ium;6-(1,1-dimethylsilinan-4-yl)-2,3-dimethyl-1-(2-methyl-5-phenylphenyl)isoquinolin-2-ium;6-(1,1-dimethylsilinan-4-yl)-1-(4-fluoro-2-methyl-5-phenylphenyl)-2,3-dimethylisoquinolin-2-ium;methane.

Molecular Properties

• Compound Name: 3-deuterio-6-(1,1-dimethylsilinan-4-yl)-2-methyl-1-(2-methyl-5-phenyl-3-propan-2-ylphenyl)isoquinolin-2-ium;1-(2,3-dimethyl-5-phenylphenyl)-6-(1,1-dimethylsilinan-4-yl)-2,3-dimethylisoquinolin-2-ium;6-(1,1-dimethylsilinan-4-yl)-2,3-dimethyl-1-(2-methyl-5-phenylphenyl)isoquinolin-2-ium;6-(1,1-dimethylsilinan-4-yl)-1-(4-fluoro-2-methyl-5-phenylphenyl)-2,3-dimethylisoquinolin-2-ium;methane
• PubChem CID: 159939574
• Molecular Formula: C128H153FN4Si4+4
• Molecular Weight: 1880.01 g/mol
• Exact Mass: 1878.12
• IUPAC Name: 3-deuterio-6-(1,1-dimethylsilinan-4-yl)-2-methyl-1-(2-methyl-5-phenyl-3-propan-2-ylphenyl)isoquinolin-2-ium;1-(2,3-dimethyl-5-phenylphenyl)-6-(1,1-dimethylsilinan-4-yl)-2,3-dimethylisoquinolin-2-ium;6-(1,1-dimethylsilinan-4-yl)-2,3-dimethyl-1-(2-methyl-5-phenylphenyl)isoquinolin-2-ium;6-(1,1-dimethylsilinan-4-yl)-1-(4-fluoro-2-methyl-5-phenylphenyl)-2,3-dimethylisoquinolin-2-ium;methane
• SMILES: C.Cc1cc(-c2ccccc2)cc(-c2c3ccc(C4CC[Si](C)(C)CC4)cc3cc(C)[n+]2C)c1C.Cc1cc(F)c(-c2ccccc2)cc1-c1c2ccc(C3CC[Si](C)(C)CC3)cc2cc(C)[n+]1C.Cc1ccc(-c2ccccc2)cc1-c1c2ccc(C3CC[Si](C)(C)CC3)cc2cc(C)[n+]1C.[2H]c1cc2cc(C3CC[Si](C)(C)CC3)ccc2c(-c2cc(-c3ccccc3)cc(C(C)C)c2C)[n+]1C
• InChI: InChI=1S/C33H40NSi.C32H38NSi.C31H35FNSi.C31H36NSi.CH4/c1-23(2)31-21-29(25-10-8-7-9-11-25)22-32(24(31)3)33-30-13-12-27(20-28(30)14-17-34(33)4)26-15-18-35(5,6)19-16-26;1-22-18-28(25-10-8-7-9-11-25)21-31(24(22)3)32-30-13-12-27(20-29(30)19-23(2)33(32)4)26-14-16-34(5,6)17-15-26;1-21-17-30(32)29(24-9-7-6-8-10-24)20-28(21)31-27-12-11-25(19-26(27)18-22(2)33(31)3)23-13-15-34(4,5)16-14-23;1-22-11-12-27(24-9-7-6-8-10-24)21-30(22)31-29-14-13-26(20-28(29)19-23(2)32(31)3)25-15-17-33(4,5)18-16-25;/h7-14,17,20-23,26H,15-16,18-19H2,1-6H3;7-13,18-21,26H,14-17H2,1-6H3;6-12,17-20,23H,13-16H2,1-5H3;6-14,19-21,25H,15-18H2,1-5H3;1H4/q4*+1;/i17D
• InChIKey: OXLRGYNTZNVBIL-QTANGXBASA-N
• XLogP: 34.70
• TPSA: 15.52 Ų
• Rotatable Bonds: 13
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1880.01
LogP ≤ 5	34.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

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 3-deuterio-6-(1,1-dimethylsilinan-4-yl)-2-methyl-1-(2-methyl-5-phenyl-3-propan-2-ylphenyl)isoquinolin-2-ium;1-(2,3-dimethyl-5-phenylphenyl)-6-(1,1-dimethylsilinan-4-yl)-2,3-dimethylisoquinolin-2-ium;6-(1,1-dimethylsilinan-4-yl)-2,3-dimethyl-1-(2-methyl-5-phenylphenyl)isoquinolin-2-ium;6-(1,1-dimethylsilinan-4-yl)-1-(4-fluoro-2-methyl-5-phenylphenyl)-2,3-dimethylisoquinolin-2-ium;methane?

The IUPAC name of 3-deuterio-6-(1,1-dimethylsilinan-4-yl)-2-methyl-1-(2-methyl-5-phenyl-3-propan-2-ylphenyl)isoquinolin-2-ium;1-(2,3-dimethyl-5-phenylphenyl)-6-(1,1-dimethylsilinan-4-yl)-2,3-dimethylisoquinolin-2-ium;6-(1,1-dimethylsilinan-4-yl)-2,3-dimethyl-1-(2-methyl-5-phenylphenyl)isoquinolin-2-ium;6-(1,1-dimethylsilinan-4-yl)-1-(4-fluoro-2-methyl-5-phenylphenyl)-2,3-dimethylisoquinolin-2-ium;methane (CID 159939574) is 3-deuterio-6-(1,1-dimethylsilinan-4-yl)-2-methyl-1-(2-methyl-5-phenyl-3-propan-2-ylphenyl)isoquinolin-2-ium;1-(2,3-dimethyl-5-phenylphenyl)-6-(1,1-dimethylsilinan-4-yl)-2,3-dimethylisoquinolin-2-ium;6-(1,1-dimethylsilinan-4-yl)-2,3-dimethyl-1-(2-methyl-5-phenylphenyl)isoquinolin-2-ium;6-(1,1-dimethylsilinan-4-yl)-1-(4-fluoro-2-methyl-5-phenylphenyl)-2,3-dimethylisoquinolin-2-ium;methane.

What is the SMILES notation for 3-deuterio-6-(1,1-dimethylsilinan-4-yl)-2-methyl-1-(2-methyl-5-phenyl-3-propan-2-ylphenyl)isoquinolin-2-ium;1-(2,3-dimethyl-5-phenylphenyl)-6-(1,1-dimethylsilinan-4-yl)-2,3-dimethylisoquinolin-2-ium;6-(1,1-dimethylsilinan-4-yl)-2,3-dimethyl-1-(2-methyl-5-phenylphenyl)isoquinolin-2-ium;6-(1,1-dimethylsilinan-4-yl)-1-(4-fluoro-2-methyl-5-phenylphenyl)-2,3-dimethylisoquinolin-2-ium;methane?

The canonical SMILES for 3-deuterio-6-(1,1-dimethylsilinan-4-yl)-2-methyl-1-(2-methyl-5-phenyl-3-propan-2-ylphenyl)isoquinolin-2-ium;1-(2,3-dimethyl-5-phenylphenyl)-6-(1,1-dimethylsilinan-4-yl)-2,3-dimethylisoquinolin-2-ium;6-(1,1-dimethylsilinan-4-yl)-2,3-dimethyl-1-(2-methyl-5-phenylphenyl)isoquinolin-2-ium;6-(1,1-dimethylsilinan-4-yl)-1-(4-fluoro-2-methyl-5-phenylphenyl)-2,3-dimethylisoquinolin-2-ium;methane is C.Cc1cc(-c2ccccc2)cc(-c2c3ccc(C4CC[Si](C)(C)CC4)cc3cc(C)[n+]2C)c1C.Cc1cc(F)c(-c2ccccc2)cc1-c1c2ccc(C3CC[Si](C)(C)CC3)cc2cc(C)[n+]1C.Cc1ccc(-c2ccccc2)cc1-c1c2ccc(C3CC[Si](C)(C)CC3)cc2cc(C)[n+]1C.[2H]c1cc2cc(C3CC[Si](C)(C)CC3)ccc2c(-c2cc(-c3ccccc3)cc(C(C)C)c2C)[n+]1C.

What is the InChIKey of 3-deuterio-6-(1,1-dimethylsilinan-4-yl)-2-methyl-1-(2-methyl-5-phenyl-3-propan-2-ylphenyl)isoquinolin-2-ium;1-(2,3-dimethyl-5-phenylphenyl)-6-(1,1-dimethylsilinan-4-yl)-2,3-dimethylisoquinolin-2-ium;6-(1,1-dimethylsilinan-4-yl)-2,3-dimethyl-1-(2-methyl-5-phenylphenyl)isoquinolin-2-ium;6-(1,1-dimethylsilinan-4-yl)-1-(4-fluoro-2-methyl-5-phenylphenyl)-2,3-dimethylisoquinolin-2-ium;methane?

The InChIKey is OXLRGYNTZNVBIL-QTANGXBASA-N. The full InChI is InChI=1S/C33H40NSi.C32H38NSi.C31H35FNSi.C31H36NSi.CH4/c1-23(2)31-21-29(25-10-8-7-9-11-25)22-32(24(31)3)33-30-13-12-27(20-28(30)14-17-34(33)4)26-15-18-35(5,6)19-16-26;1-22-18-28(25-10-8-7-9-11-25)21-31(24(22)3)32-30-13-12-27(20-29(30)19-23(2)33(32)4)26-14-16-34(5,6)17-15-26;1-21-17-30(32)29(24-9-7-6-8-10-24)20-28(21)31-27-12-11-25(19-26(27)18-22(2)33(31)3)23-13-15-34(4,5)16-14-23;1-22-11-12-27(24-9-7-6-8-10-24)21-30(22)31-29-14-13-26(20-28(29)19-23(2)32(31)3)25-15-17-33(4,5)18-16-25;/h7-14,17,20-23,26H,15-16,18-19H2,1-6H3;7-13,18-21,26H,14-17H2,1-6H3;6-12,17-20,23H,13-16H2,1-5H3;6-14,19-21,25H,15-18H2,1-5H3;1H4/q4*+1;/i17D;;;;.

What are the key properties of 3-deuterio-6-(1,1-dimethylsilinan-4-yl)-2-methyl-1-(2-methyl-5-phenyl-3-propan-2-ylphenyl)isoquinolin-2-ium;1-(2,3-dimethyl-5-phenylphenyl)-6-(1,1-dimethylsilinan-4-yl)-2,3-dimethylisoquinolin-2-ium;6-(1,1-dimethylsilinan-4-yl)-2,3-dimethyl-1-(2-methyl-5-phenylphenyl)isoquinolin-2-ium;6-(1,1-dimethylsilinan-4-yl)-1-(4-fluoro-2-methyl-5-phenylphenyl)-2,3-dimethylisoquinolin-2-ium;methane?

3-deuterio-6-(1,1-dimethylsilinan-4-yl)-2-methyl-1-(2-methyl-5-phenyl-3-propan-2-ylphenyl)isoquinolin-2-ium;1-(2,3-dimethyl-5-phenylphenyl)-6-(1,1-dimethylsilinan-4-yl)-2,3-dimethylisoquinolin-2-ium;6-(1,1-dimethylsilinan-4-yl)-2,3-dimethyl-1-(2-methyl-5-phenylphenyl)isoquinolin-2-ium;6-(1,1-dimethylsilinan-4-yl)-1-(4-fluoro-2-methyl-5-phenylphenyl)-2,3-dimethylisoquinolin-2-ium;methane has a molecular weight of 1880.01 g/mol, XLogP of 34.70, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 3-deuterio-6-(1,1-dimethylsilinan-4-yl)-2-methyl-1-(2-methyl-5-phenyl-3-propan-2-ylphenyl)isoquinolin-2-ium;1-(2,3-dimethyl-5-phenylphenyl)-6-(1,1-dimethylsilinan-4-yl)-2,3-dimethylisoquinolin-2-ium;6-(1,1-dimethylsilinan-4-yl)-2,3-dimethyl-1-(2-methyl-5-phenylphenyl)isoquinolin-2-ium;6-(1,1-dimethylsilinan-4-yl)-1-(4-fluoro-2-methyl-5-phenylphenyl)-2,3-dimethylisoquinolin-2-ium;methane is sourced from PubChem (CID 159939574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).