[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

C119H139FN5Si4+5 — CID 160736200

About [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

[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 (PubChem CID 160736200) has the molecular formula C119H139FN5Si4+5 and a molecular weight of 1771.80 g/mol. Its IUPAC name is [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.

Molecular Properties

• Compound Name: [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
• PubChem CID: 160736200
• Molecular Formula: C119H139FN5Si4+5
• Molecular Weight: 1771.80 g/mol
• Exact Mass: 1770.01
• IUPAC Name: [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
• SMILES: Cc1cc(-c2c3ccc([Si](C)(C)C)cc3cc(C)[n+]2C)c(C)c(C)c1F.Cc1cc2c(cc1-c1c3ccc([Si](C)(C)C)cc3cc(C)[n+]1C)C(C)(C)c1ccccc1-2.Cc1cc2ccccc2cc1-c1c2ccc([Si](C)(C)C)cc2cc(C)[n+]1C.Cc1ccc2c(-c3ccccc3C)[n+](C)c(C)cc2c1.[2H]c1cc2cc([Si](C)(C)C)ccc2c(-c2cc(C)cc(C)c2C)[n+]1C
• InChI: InChI=1S/C30H34NSi.C25H28NSi.C23H29FNSi.C22H28NSi.C19H20N/c1-19-15-26-24-11-9-10-12-27(24)30(3,4)28(26)18-25(19)29-23-14-13-22(32(6,7)8)17-21(23)16-20(2)31(29)5;1-17-13-19-9-7-8-10-20(19)16-24(17)25-23-12-11-22(27(4,5)6)15-21(23)14-18(2)26(25)3;1-14-11-21(16(3)17(4)22(14)24)23-20-10-9-19(26(6,7)8)13-18(20)12-15(2)25(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;1-13-9-10-18-16(11-13)12-15(3)20(4)19(18)17-8-6-5-7-14(17)2/h9-18H,1-8H3;7-16H,1-6H3;9-13H,1-8H3;8-14H,1-7H3;5-12H,1-4H3/q5*+1/i;;;11D
• InChIKey: VISOSOHVVMOTAQ-MKQDQVLUSA-N
• XLogP: 26.75
• TPSA: 19.40 Ų
• Rotatable Bonds: 9
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1771.80
LogP ≤ 5	26.75
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-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?

The IUPAC name of [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) is [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.

What is the SMILES notation for [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?

The canonical SMILES for [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 is Cc1cc(-c2c3ccc([Si](C)(C)C)cc3cc(C)[n+]2C)c(C)c(C)c1F.Cc1cc2c(cc1-c1c3ccc([Si](C)(C)C)cc3cc(C)[n+]1C)C(C)(C)c1ccccc1-2.Cc1cc2ccccc2cc1-c1c2ccc([Si](C)(C)C)cc2cc(C)[n+]1C.Cc1ccc2c(-c3ccccc3C)[n+](C)c(C)cc2c1.[2H]c1cc2cc([Si](C)(C)C)ccc2c(-c2cc(C)cc(C)c2C)[n+]1C.

What is the InChIKey of [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?

The InChIKey is VISOSOHVVMOTAQ-MKQDQVLUSA-N. The full InChI is InChI=1S/C30H34NSi.C25H28NSi.C23H29FNSi.C22H28NSi.C19H20N/c1-19-15-26-24-11-9-10-12-27(24)30(3,4)28(26)18-25(19)29-23-14-13-22(32(6,7)8)17-21(23)16-20(2)31(29)5;1-17-13-19-9-7-8-10-20(19)16-24(17)25-23-12-11-22(27(4,5)6)15-21(23)14-18(2)26(25)3;1-14-11-21(16(3)17(4)22(14)24)23-20-10-9-19(26(6,7)8)13-18(20)12-15(2)25(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;1-13-9-10-18-16(11-13)12-15(3)20(4)19(18)17-8-6-5-7-14(17)2/h9-18H,1-8H3;7-16H,1-6H3;9-13H,1-8H3;8-14H,1-7H3;5-12H,1-4H3/q5*+1/i;;;11D;.

What are the key properties of [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?

[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 has a molecular weight of 1771.80 g/mol, XLogP of 26.75, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for [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 is sourced from PubChem (CID 160736200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).