tert-butyl-[1-[2,3-dimethyl-5-(2,2,2-trifluoroethyl)phenyl]-2-methylisoquinolin-2-ium-6-yl]-diethylsilane;tert-butyl-[1-[2,3-dimethyl-5-(2,2,2-trifluoroethyl)phenyl]-2-methylisoquinolin-2-ium-6-yl]-dimethylsilane;ditert-butyl-[1-[2,3-dimethyl-5-(2,2,2-trifluoroethyl)phenyl]-2-methylisoquinolin-2-ium-6-yl]-methylsilane;[1-[2,3-dimethyl-5-(2,2,2-trifluoroethyl)phenyl]-2-methylisoquinolin-2-ium-6-yl]-tri(propan-2-yl)silane

C112H148F12N4Si4+4 — CID 162164921

About tert-butyl-[1-[2,3-dimethyl-5-(2,2,2-trifluoroethyl)phenyl]-2-methylisoquinolin-2-ium-6-yl]-diethylsilane;tert-butyl-[1-[2,3-dimethyl-5-(2,2,2-trifluoroethyl)phenyl]-2-methylisoquinolin-2-ium-6-yl]-dimethylsilane;ditert-butyl-[1-[2,3-dimethyl-5-(2,2,2-trifluoroethyl)phenyl]-2-methylisoquinolin-2-ium-6-yl]-methylsilane;[1-[2,3-dimethyl-5-(2,2,2-trifluoroethyl)phenyl]-2-methylisoquinolin-2-ium-6-yl]-tri(propan-2-yl)silane

tert-butyl-[1-[2,3-dimethyl-5-(2,2,2-trifluoroethyl)phenyl]-2-methylisoquinolin-2-ium-6-yl]-diethylsilane;tert-butyl-[1-[2,3-dimethyl-5-(2,2,2-trifluoroethyl)phenyl]-2-methylisoquinolin-2-ium-6-yl]-dimethylsilane;ditert-butyl-[1-[2,3-dimethyl-5-(2,2,2-trifluoroethyl)phenyl]-2-methylisoquinolin-2-ium-6-yl]-methylsilane;[1-[2,3-dimethyl-5-(2,2,2-trifluoroethyl)phenyl]-2-methylisoquinolin-2-ium-6-yl]-tri(propan-2-yl)silane (PubChem CID 162164921) has the molecular formula C112H148F12N4Si4+4 and a molecular weight of 1890.76 g/mol. Its IUPAC name is tert-butyl-[1-[2,3-dimethyl-5-(2,2,2-trifluoroethyl)phenyl]-2-methylisoquinolin-2-ium-6-yl]-diethylsilane;tert-butyl-[1-[2,3-dimethyl-5-(2,2,2-trifluoroethyl)phenyl]-2-methylisoquinolin-2-ium-6-yl]-dimethylsilane;ditert-butyl-[1-[2,3-dimethyl-5-(2,2,2-trifluoroethyl)phenyl]-2-methylisoquinolin-2-ium-6-yl]-methylsilane;[1-[2,3-dimethyl-5-(2,2,2-trifluoroethyl)phenyl]-2-methylisoquinolin-2-ium-6-yl]-tri(propan-2-yl)silane.

Molecular Properties

• Compound Name: tert-butyl-[1-[2,3-dimethyl-5-(2,2,2-trifluoroethyl)phenyl]-2-methylisoquinolin-2-ium-6-yl]-diethylsilane;tert-butyl-[1-[2,3-dimethyl-5-(2,2,2-trifluoroethyl)phenyl]-2-methylisoquinolin-2-ium-6-yl]-dimethylsilane;ditert-butyl-[1-[2,3-dimethyl-5-(2,2,2-trifluoroethyl)phenyl]-2-methylisoquinolin-2-ium-6-yl]-methylsilane;[1-[2,3-dimethyl-5-(2,2,2-trifluoroethyl)phenyl]-2-methylisoquinolin-2-ium-6-yl]-tri(propan-2-yl)silane
• PubChem CID: 162164921
• Molecular Formula: C112H148F12N4Si4+4
• Molecular Weight: 1890.76 g/mol
• Exact Mass: 1889.06
• IUPAC Name: tert-butyl-[1-[2,3-dimethyl-5-(2,2,2-trifluoroethyl)phenyl]-2-methylisoquinolin-2-ium-6-yl]-diethylsilane;tert-butyl-[1-[2,3-dimethyl-5-(2,2,2-trifluoroethyl)phenyl]-2-methylisoquinolin-2-ium-6-yl]-dimethylsilane;ditert-butyl-[1-[2,3-dimethyl-5-(2,2,2-trifluoroethyl)phenyl]-2-methylisoquinolin-2-ium-6-yl]-methylsilane;[1-[2,3-dimethyl-5-(2,2,2-trifluoroethyl)phenyl]-2-methylisoquinolin-2-ium-6-yl]-tri(propan-2-yl)silane
• SMILES: CC[Si](CC)(c1ccc2c(-c3cc(CC(F)(F)F)cc(C)c3C)[n+](C)ccc2c1)C(C)(C)C.Cc1cc(CC(F)(F)F)cc(-c2c3ccc([Si](C(C)C)(C(C)C)C(C)C)cc3cc[n+]2C)c1C.Cc1cc(CC(F)(F)F)cc(-c2c3ccc([Si](C)(C(C)(C)C)C(C)(C)C)cc3cc[n+]2C)c1C.Cc1cc(CC(F)(F)F)cc(-c2c3ccc([Si](C)(C)C(C)(C)C)cc3cc[n+]2C)c1C
• InChI: InChI=1S/2C29H39F3NSi.C28H37F3NSi.C26H33F3NSi/c1-19-15-21(18-29(30,31)32)16-25(20(19)2)26-24-12-11-23(17-22(24)13-14-33(26)9)34(10,27(3,4)5)28(6,7)8;1-18(2)34(19(3)4,20(5)6)25-10-11-26-24(16-25)12-13-33(9)28(26)27-15-23(17-29(30,31)32)14-21(7)22(27)8;1-9-33(10-2,27(5,6)7)23-11-12-24-22(17-23)13-14-32(8)26(24)25-16-21(18-28(29,30)31)15-19(3)20(25)4;1-17-13-19(16-26(27,28)29)14-23(18(17)2)24-22-10-9-21(31(7,8)25(3,4)5)15-20(22)11-12-30(24)6/h11-17H,18H2,1-10H3;10-16,18-20H,17H2,1-9H3;11-17H,9-10,18H2,1-8H3;9-15H,16H2,1-8H3/q4*+1
• InChIKey: DHSGAIOMVYOVHH-UHFFFAOYSA-N
• XLogP: 30.19
• TPSA: 15.52 Ų
• Rotatable Bonds: 17
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1890.76
LogP ≤ 5	30.19
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 tert-butyl-[1-[2,3-dimethyl-5-(2,2,2-trifluoroethyl)phenyl]-2-methylisoquinolin-2-ium-6-yl]-diethylsilane;tert-butyl-[1-[2,3-dimethyl-5-(2,2,2-trifluoroethyl)phenyl]-2-methylisoquinolin-2-ium-6-yl]-dimethylsilane;ditert-butyl-[1-[2,3-dimethyl-5-(2,2,2-trifluoroethyl)phenyl]-2-methylisoquinolin-2-ium-6-yl]-methylsilane;[1-[2,3-dimethyl-5-(2,2,2-trifluoroethyl)phenyl]-2-methylisoquinolin-2-ium-6-yl]-tri(propan-2-yl)silane?

The IUPAC name of tert-butyl-[1-[2,3-dimethyl-5-(2,2,2-trifluoroethyl)phenyl]-2-methylisoquinolin-2-ium-6-yl]-diethylsilane;tert-butyl-[1-[2,3-dimethyl-5-(2,2,2-trifluoroethyl)phenyl]-2-methylisoquinolin-2-ium-6-yl]-dimethylsilane;ditert-butyl-[1-[2,3-dimethyl-5-(2,2,2-trifluoroethyl)phenyl]-2-methylisoquinolin-2-ium-6-yl]-methylsilane;[1-[2,3-dimethyl-5-(2,2,2-trifluoroethyl)phenyl]-2-methylisoquinolin-2-ium-6-yl]-tri(propan-2-yl)silane (CID 162164921) is tert-butyl-[1-[2,3-dimethyl-5-(2,2,2-trifluoroethyl)phenyl]-2-methylisoquinolin-2-ium-6-yl]-diethylsilane;tert-butyl-[1-[2,3-dimethyl-5-(2,2,2-trifluoroethyl)phenyl]-2-methylisoquinolin-2-ium-6-yl]-dimethylsilane;ditert-butyl-[1-[2,3-dimethyl-5-(2,2,2-trifluoroethyl)phenyl]-2-methylisoquinolin-2-ium-6-yl]-methylsilane;[1-[2,3-dimethyl-5-(2,2,2-trifluoroethyl)phenyl]-2-methylisoquinolin-2-ium-6-yl]-tri(propan-2-yl)silane.

What is the SMILES notation for tert-butyl-[1-[2,3-dimethyl-5-(2,2,2-trifluoroethyl)phenyl]-2-methylisoquinolin-2-ium-6-yl]-diethylsilane;tert-butyl-[1-[2,3-dimethyl-5-(2,2,2-trifluoroethyl)phenyl]-2-methylisoquinolin-2-ium-6-yl]-dimethylsilane;ditert-butyl-[1-[2,3-dimethyl-5-(2,2,2-trifluoroethyl)phenyl]-2-methylisoquinolin-2-ium-6-yl]-methylsilane;[1-[2,3-dimethyl-5-(2,2,2-trifluoroethyl)phenyl]-2-methylisoquinolin-2-ium-6-yl]-tri(propan-2-yl)silane?

The canonical SMILES for tert-butyl-[1-[2,3-dimethyl-5-(2,2,2-trifluoroethyl)phenyl]-2-methylisoquinolin-2-ium-6-yl]-diethylsilane;tert-butyl-[1-[2,3-dimethyl-5-(2,2,2-trifluoroethyl)phenyl]-2-methylisoquinolin-2-ium-6-yl]-dimethylsilane;ditert-butyl-[1-[2,3-dimethyl-5-(2,2,2-trifluoroethyl)phenyl]-2-methylisoquinolin-2-ium-6-yl]-methylsilane;[1-[2,3-dimethyl-5-(2,2,2-trifluoroethyl)phenyl]-2-methylisoquinolin-2-ium-6-yl]-tri(propan-2-yl)silane is CC[Si](CC)(c1ccc2c(-c3cc(CC(F)(F)F)cc(C)c3C)[n+](C)ccc2c1)C(C)(C)C.Cc1cc(CC(F)(F)F)cc(-c2c3ccc([Si](C(C)C)(C(C)C)C(C)C)cc3cc[n+]2C)c1C.Cc1cc(CC(F)(F)F)cc(-c2c3ccc([Si](C)(C(C)(C)C)C(C)(C)C)cc3cc[n+]2C)c1C.Cc1cc(CC(F)(F)F)cc(-c2c3ccc([Si](C)(C)C(C)(C)C)cc3cc[n+]2C)c1C.

What is the InChIKey of tert-butyl-[1-[2,3-dimethyl-5-(2,2,2-trifluoroethyl)phenyl]-2-methylisoquinolin-2-ium-6-yl]-diethylsilane;tert-butyl-[1-[2,3-dimethyl-5-(2,2,2-trifluoroethyl)phenyl]-2-methylisoquinolin-2-ium-6-yl]-dimethylsilane;ditert-butyl-[1-[2,3-dimethyl-5-(2,2,2-trifluoroethyl)phenyl]-2-methylisoquinolin-2-ium-6-yl]-methylsilane;[1-[2,3-dimethyl-5-(2,2,2-trifluoroethyl)phenyl]-2-methylisoquinolin-2-ium-6-yl]-tri(propan-2-yl)silane?

The InChIKey is DHSGAIOMVYOVHH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C29H39F3NSi.C28H37F3NSi.C26H33F3NSi/c1-19-15-21(18-29(30,31)32)16-25(20(19)2)26-24-12-11-23(17-22(24)13-14-33(26)9)34(10,27(3,4)5)28(6,7)8;1-18(2)34(19(3)4,20(5)6)25-10-11-26-24(16-25)12-13-33(9)28(26)27-15-23(17-29(30,31)32)14-21(7)22(27)8;1-9-33(10-2,27(5,6)7)23-11-12-24-22(17-23)13-14-32(8)26(24)25-16-21(18-28(29,30)31)15-19(3)20(25)4;1-17-13-19(16-26(27,28)29)14-23(18(17)2)24-22-10-9-21(31(7,8)25(3,4)5)15-20(22)11-12-30(24)6/h11-17H,18H2,1-10H3;10-16,18-20H,17H2,1-9H3;11-17H,9-10,18H2,1-8H3;9-15H,16H2,1-8H3/q4*+1.

What are the key properties of tert-butyl-[1-[2,3-dimethyl-5-(2,2,2-trifluoroethyl)phenyl]-2-methylisoquinolin-2-ium-6-yl]-diethylsilane;tert-butyl-[1-[2,3-dimethyl-5-(2,2,2-trifluoroethyl)phenyl]-2-methylisoquinolin-2-ium-6-yl]-dimethylsilane;ditert-butyl-[1-[2,3-dimethyl-5-(2,2,2-trifluoroethyl)phenyl]-2-methylisoquinolin-2-ium-6-yl]-methylsilane;[1-[2,3-dimethyl-5-(2,2,2-trifluoroethyl)phenyl]-2-methylisoquinolin-2-ium-6-yl]-tri(propan-2-yl)silane?

tert-butyl-[1-[2,3-dimethyl-5-(2,2,2-trifluoroethyl)phenyl]-2-methylisoquinolin-2-ium-6-yl]-diethylsilane;tert-butyl-[1-[2,3-dimethyl-5-(2,2,2-trifluoroethyl)phenyl]-2-methylisoquinolin-2-ium-6-yl]-dimethylsilane;ditert-butyl-[1-[2,3-dimethyl-5-(2,2,2-trifluoroethyl)phenyl]-2-methylisoquinolin-2-ium-6-yl]-methylsilane;[1-[2,3-dimethyl-5-(2,2,2-trifluoroethyl)phenyl]-2-methylisoquinolin-2-ium-6-yl]-tri(propan-2-yl)silane has a molecular weight of 1890.76 g/mol, XLogP of 30.19, 17 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[1-[2,3-dimethyl-5-(2,2,2-trifluoroethyl)phenyl]-2-methylisoquinolin-2-ium-6-yl]-diethylsilane;tert-butyl-[1-[2,3-dimethyl-5-(2,2,2-trifluoroethyl)phenyl]-2-methylisoquinolin-2-ium-6-yl]-dimethylsilane;ditert-butyl-[1-[2,3-dimethyl-5-(2,2,2-trifluoroethyl)phenyl]-2-methylisoquinolin-2-ium-6-yl]-methylsilane;[1-[2,3-dimethyl-5-(2,2,2-trifluoroethyl)phenyl]-2-methylisoquinolin-2-ium-6-yl]-tri(propan-2-yl)silane is sourced from PubChem (CID 162164921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).