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

C27H27FNOSi+ — CID 164807753

IUPAC[2-(7-fluoro-2,3-dimethyldibenzofuran-4-yl)-1-methylquinolin-1-ium-4-yl]-trimethylsilane
SMILESCc1cc2c(oc3cc(F)ccc32)c(-c2cc([Si](C)(C)C)c3ccccc3[n+]2C)c1C
InChIInChI=1S/C27H27FNOSi/c1-16-13-21-19-12-11-18(28)14-24(19)30-27(21)26(17(16)2)23-15-25(31(4,5)6)20-9-7-8-10-22(20)29(23)3/h7-15H,1-6H3/q+1
InChIKeySIDDHZRMZWGPHN-UHFFFAOYSA-N
MW428.60 g/mol
LogP6.53
Rot. Bonds2

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

[2-(7-fluoro-2,3-dimethyldibenzofuran-4-yl)-1-methylquinolin-1-ium-4-yl]-trimethylsilane (PubChem CID 164807753) has the molecular formula C27H27FNOSi+ and a molecular weight of 428.60 g/mol. Its IUPAC name is [2-(7-fluoro-2,3-dimethyldibenzofuran-4-yl)-1-methylquinolin-1-ium-4-yl]-trimethylsilane.

Molecular Properties

Compound Name[2-(7-fluoro-2,3-dimethyldibenzofuran-4-yl)-1-methylquinolin-1-ium-4-yl]-trimethylsilane
PubChem CID164807753
Molecular FormulaC27H27FNOSi+
Molecular Weight428.60 g/mol
Exact Mass428.18
IUPAC Name[2-(7-fluoro-2,3-dimethyldibenzofuran-4-yl)-1-methylquinolin-1-ium-4-yl]-trimethylsilane
SMILESCc1cc2c(oc3cc(F)ccc32)c(-c2cc([Si](C)(C)C)c3ccccc3[n+]2C)c1C
InChIInChI=1S/C27H27FNOSi/c1-16-13-21-19-12-11-18(28)14-24(19)30-27(21)26(17(16)2)23-15-25(31(4,5)6)20-9-7-8-10-22(20)29(23)3/h7-15H,1-6H3/q+1
InChIKeySIDDHZRMZWGPHN-UHFFFAOYSA-N
XLogP6.53
TPSA17.02 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.60
LogP ≤ 56.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_pyridiniums_A(39)', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

[2-(2,3-dimethyldibenzofuran-4-yl)-1-methyl-6-propan-2-ylquinolin-1-ium-4-yl]-trimethylsilane
CID 164808000
[4-deuterio-6-fluoro-2-(7-fluoro-2,3-dimethyldibenzofuran-4-yl)-1-methylquinolin-1-ium-7-yl]-trimethylsilane
CID 162494243
[4-(2,2-dimethylpropyl)-2-(7-fluoro-2,3-dimethyldibenzofuran-4-yl)-1,7-dimethylquinolin-1-ium-6-yl]-trimethylsilane
CID 163542204
[2-(2,3-dimethyldibenzofuran-4-yl)-1-methyl-6-(2-methylpropyl)quinolin-1-ium-4-yl]-trimethylsilane
CID 164807728
[7-tert-butyl-2-(7-isocyano-2,3-dimethyldibenzofuran-4-yl)-1-methylquinolin-1-ium-4-yl]-trimethylsilane
CID 164807959
2-(7-fluoro-2,3-dimethyldibenzofuran-4-yl)-1,7-dimethyl-4-(2-methylpropyl)quinolin-1-ium
CID 163866810
[1,6-dimethyl-2-(2-methyldibenzofuran-3-yl)quinolin-1-ium-4-yl]-trimethylsilane;[1,6-dimethyl-2-(3-methyldibenzofuran-2-yl)quinolin-1-ium-4-yl]-trimethylsilane;[1,6-dimethyl-2-(2,6,7-trimethyl-[1]benzofuro[2,3-b]pyridin-8-yl)quinolin-1-ium-4-yl]-trimethylsilane
CID 163587086
dimethyl-[1-methyl-2-(3-methyldibenzofuran-4-yl)quinolin-1-ium-4-yl]-phenylsilane
CID 164807935
[1,7-dimethyl-2-[3-methyl-2-(trideuteriomethyl)dibenzofuran-4-yl]quinolin-1-ium-6-yl]-trimethylsilane
CID 163479043
2-(2,3-dimethylnaphtho[2,3-b][1]benzofuran-4-yl)-1,5-dimethylpyrazin-1-ium
CID 169032863
2,6,7-trimethyl-8-(1-methylquinolin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine
CID 140802292
9-[2-(2,3-dimethyldibenzofuran-4-yl)-1,6-dimethylquinolin-1-ium-4-yl]carbazole
CID 171458896

Frequently Asked Questions

What is the IUPAC name of [2-(7-fluoro-2,3-dimethyldibenzofuran-4-yl)-1-methylquinolin-1-ium-4-yl]-trimethylsilane?
The IUPAC name of [2-(7-fluoro-2,3-dimethyldibenzofuran-4-yl)-1-methylquinolin-1-ium-4-yl]-trimethylsilane (CID 164807753) is [2-(7-fluoro-2,3-dimethyldibenzofuran-4-yl)-1-methylquinolin-1-ium-4-yl]-trimethylsilane.
What is the SMILES notation for [2-(7-fluoro-2,3-dimethyldibenzofuran-4-yl)-1-methylquinolin-1-ium-4-yl]-trimethylsilane?
The canonical SMILES for [2-(7-fluoro-2,3-dimethyldibenzofuran-4-yl)-1-methylquinolin-1-ium-4-yl]-trimethylsilane is Cc1cc2c(oc3cc(F)ccc32)c(-c2cc([Si](C)(C)C)c3ccccc3[n+]2C)c1C.
What is the InChIKey of [2-(7-fluoro-2,3-dimethyldibenzofuran-4-yl)-1-methylquinolin-1-ium-4-yl]-trimethylsilane?
The InChIKey is SIDDHZRMZWGPHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27FNOSi/c1-16-13-21-19-12-11-18(28)14-24(19)30-27(21)26(17(16)2)23-15-25(31(4,5)6)20-9-7-8-10-22(20)29(23)3/h7-15H,1-6H3/q+1.
What are the key properties of [2-(7-fluoro-2,3-dimethyldibenzofuran-4-yl)-1-methylquinolin-1-ium-4-yl]-trimethylsilane?
[2-(7-fluoro-2,3-dimethyldibenzofuran-4-yl)-1-methylquinolin-1-ium-4-yl]-trimethylsilane has a molecular weight of 428.60 g/mol, XLogP of 6.53, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(7-fluoro-2,3-dimethyldibenzofuran-4-yl)-1-methylquinolin-1-ium-4-yl]-trimethylsilane is sourced from PubChem (CID 164807753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).