[5-fluoro-2-[7-fluoro-3-methyl-6-(3-phenylphenyl)dibenzofuran-4-yl]-1-methylpyridin-1-ium-4-yl]-trimethylsilane

C34H30F2NOSi+ — CID 169282849

About [5-fluoro-2-[7-fluoro-3-methyl-6-(3-phenylphenyl)dibenzofuran-4-yl]-1-methylpyridin-1-ium-4-yl]-trimethylsilane

[5-fluoro-2-[7-fluoro-3-methyl-6-(3-phenylphenyl)dibenzofuran-4-yl]-1-methylpyridin-1-ium-4-yl]-trimethylsilane (PubChem CID 169282849) has the molecular formula C34H30F2NOSi+ and a molecular weight of 534.70 g/mol. Its IUPAC name is [5-fluoro-2-[7-fluoro-3-methyl-6-(3-phenylphenyl)dibenzofuran-4-yl]-1-methylpyridin-1-ium-4-yl]-trimethylsilane.

Molecular Properties

• Compound Name: [5-fluoro-2-[7-fluoro-3-methyl-6-(3-phenylphenyl)dibenzofuran-4-yl]-1-methylpyridin-1-ium-4-yl]-trimethylsilane
• PubChem CID: 169282849
• Molecular Formula: C34H30F2NOSi+
• Molecular Weight: 534.70 g/mol
• Exact Mass: 534.21
• IUPAC Name: [5-fluoro-2-[7-fluoro-3-methyl-6-(3-phenylphenyl)dibenzofuran-4-yl]-1-methylpyridin-1-ium-4-yl]-trimethylsilane
• SMILES: Cc1ccc2c(oc3c(-c4cccc(-c5ccccc5)c4)c(F)ccc32)c1-c1cc([Si](C)(C)C)c(F)c[n+]1C
• InChI: InChI=1S/C34H30F2NOSi/c1-21-14-15-25-26-16-17-27(35)32(24-13-9-12-23(18-24)22-10-7-6-8-11-22)34(26)38-33(25)31(21)29-19-30(39(3,4)5)28(36)20-37(29)2/h6-20H,1-5H3/q+1
• InChIKey: IBANBCSJUKWHDW-UHFFFAOYSA-N
• XLogP: 8.54
• TPSA: 17.02 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 4
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	534.70
LogP ≤ 5	8.54
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 [5-fluoro-2-[7-fluoro-3-methyl-6-(3-phenylphenyl)dibenzofuran-4-yl]-1-methylpyridin-1-ium-4-yl]-trimethylsilane?

The IUPAC name of [5-fluoro-2-[7-fluoro-3-methyl-6-(3-phenylphenyl)dibenzofuran-4-yl]-1-methylpyridin-1-ium-4-yl]-trimethylsilane (CID 169282849) is [5-fluoro-2-[7-fluoro-3-methyl-6-(3-phenylphenyl)dibenzofuran-4-yl]-1-methylpyridin-1-ium-4-yl]-trimethylsilane.

What is the SMILES notation for [5-fluoro-2-[7-fluoro-3-methyl-6-(3-phenylphenyl)dibenzofuran-4-yl]-1-methylpyridin-1-ium-4-yl]-trimethylsilane?

The canonical SMILES for [5-fluoro-2-[7-fluoro-3-methyl-6-(3-phenylphenyl)dibenzofuran-4-yl]-1-methylpyridin-1-ium-4-yl]-trimethylsilane is Cc1ccc2c(oc3c(-c4cccc(-c5ccccc5)c4)c(F)ccc32)c1-c1cc([Si](C)(C)C)c(F)c[n+]1C.

What is the InChIKey of [5-fluoro-2-[7-fluoro-3-methyl-6-(3-phenylphenyl)dibenzofuran-4-yl]-1-methylpyridin-1-ium-4-yl]-trimethylsilane?

The InChIKey is IBANBCSJUKWHDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H30F2NOSi/c1-21-14-15-25-26-16-17-27(35)32(24-13-9-12-23(18-24)22-10-7-6-8-11-22)34(26)38-33(25)31(21)29-19-30(39(3,4)5)28(36)20-37(29)2/h6-20H,1-5H3/q+1.

What are the key properties of [5-fluoro-2-[7-fluoro-3-methyl-6-(3-phenylphenyl)dibenzofuran-4-yl]-1-methylpyridin-1-ium-4-yl]-trimethylsilane?

[5-fluoro-2-[7-fluoro-3-methyl-6-(3-phenylphenyl)dibenzofuran-4-yl]-1-methylpyridin-1-ium-4-yl]-trimethylsilane has a molecular weight of 534.70 g/mol, XLogP of 8.54, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for [5-fluoro-2-[7-fluoro-3-methyl-6-(3-phenylphenyl)dibenzofuran-4-yl]-1-methylpyridin-1-ium-4-yl]-trimethylsilane is sourced from PubChem (CID 169282849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).