[4-deuterio-6-fluoro-2-(7-fluoro-2,3-dimethyldibenzofuran-4-yl)-1-methylquinolin-1-ium-7-yl]-trimethylsilane

C27H26F2NOSi+ — CID 162494243

About [4-deuterio-6-fluoro-2-(7-fluoro-2,3-dimethyldibenzofuran-4-yl)-1-methylquinolin-1-ium-7-yl]-trimethylsilane

[4-deuterio-6-fluoro-2-(7-fluoro-2,3-dimethyldibenzofuran-4-yl)-1-methylquinolin-1-ium-7-yl]-trimethylsilane (PubChem CID 162494243) has the molecular formula C27H26F2NOSi+ and a molecular weight of 447.60 g/mol. Its IUPAC name is [4-deuterio-6-fluoro-2-(7-fluoro-2,3-dimethyldibenzofuran-4-yl)-1-methylquinolin-1-ium-7-yl]-trimethylsilane.

Molecular Properties

• Compound Name: [4-deuterio-6-fluoro-2-(7-fluoro-2,3-dimethyldibenzofuran-4-yl)-1-methylquinolin-1-ium-7-yl]-trimethylsilane
• PubChem CID: 162494243
• Molecular Formula: C27H26F2NOSi+
• Molecular Weight: 447.60 g/mol
• Exact Mass: 447.18
• IUPAC Name: [4-deuterio-6-fluoro-2-(7-fluoro-2,3-dimethyldibenzofuran-4-yl)-1-methylquinolin-1-ium-7-yl]-trimethylsilane
• SMILES: [2H]c1cc(-c2c(C)c(C)cc3c2oc2cc(F)ccc23)[n+](C)c2cc([Si](C)(C)C)c(F)cc12
• InChI: InChI=1S/C27H26F2NOSi/c1-15-11-20-19-9-8-18(28)13-24(19)31-27(20)26(16(15)2)22-10-7-17-12-21(29)25(32(4,5)6)14-23(17)30(22)3/h7-14H,1-6H3/q+1/i7D
• InChIKey: RMTOJFSZEXCVSY-WHRKIXHSSA-N
• XLogP: 6.67
• TPSA: 17.02 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 2
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	447.60
LogP ≤ 5	6.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

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 [4-deuterio-6-fluoro-2-(7-fluoro-2,3-dimethyldibenzofuran-4-yl)-1-methylquinolin-1-ium-7-yl]-trimethylsilane?

The IUPAC name of [4-deuterio-6-fluoro-2-(7-fluoro-2,3-dimethyldibenzofuran-4-yl)-1-methylquinolin-1-ium-7-yl]-trimethylsilane (CID 162494243) is [4-deuterio-6-fluoro-2-(7-fluoro-2,3-dimethyldibenzofuran-4-yl)-1-methylquinolin-1-ium-7-yl]-trimethylsilane.

What is the SMILES notation for [4-deuterio-6-fluoro-2-(7-fluoro-2,3-dimethyldibenzofuran-4-yl)-1-methylquinolin-1-ium-7-yl]-trimethylsilane?

The canonical SMILES for [4-deuterio-6-fluoro-2-(7-fluoro-2,3-dimethyldibenzofuran-4-yl)-1-methylquinolin-1-ium-7-yl]-trimethylsilane is [2H]c1cc(-c2c(C)c(C)cc3c2oc2cc(F)ccc23)[n+](C)c2cc([Si](C)(C)C)c(F)cc12.

What is the InChIKey of [4-deuterio-6-fluoro-2-(7-fluoro-2,3-dimethyldibenzofuran-4-yl)-1-methylquinolin-1-ium-7-yl]-trimethylsilane?

The InChIKey is RMTOJFSZEXCVSY-WHRKIXHSSA-N. The full InChI is InChI=1S/C27H26F2NOSi/c1-15-11-20-19-9-8-18(28)13-24(19)31-27(20)26(16(15)2)22-10-7-17-12-21(29)25(32(4,5)6)14-23(17)30(22)3/h7-14H,1-6H3/q+1/i7D.

What are the key properties of [4-deuterio-6-fluoro-2-(7-fluoro-2,3-dimethyldibenzofuran-4-yl)-1-methylquinolin-1-ium-7-yl]-trimethylsilane?

[4-deuterio-6-fluoro-2-(7-fluoro-2,3-dimethyldibenzofuran-4-yl)-1-methylquinolin-1-ium-7-yl]-trimethylsilane has a molecular weight of 447.60 g/mol, XLogP of 6.67, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for [4-deuterio-6-fluoro-2-(7-fluoro-2,3-dimethyldibenzofuran-4-yl)-1-methylquinolin-1-ium-7-yl]-trimethylsilane is sourced from PubChem (CID 162494243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).