[1,7-dimethyl-2-[3-methyl-2-(trideuteriomethyl)dibenzofuran-4-yl]quinolin-1-ium-6-yl]-trimethylsilane

C28H30NOSi+ — CID 163479043

IUPAC[1,7-dimethyl-2-[3-methyl-2-(trideuteriomethyl)dibenzofuran-4-yl]quinolin-1-ium-6-yl]-trimethylsilane
SMILES[2H]C([2H])([2H])c1cc2c(oc3ccccc32)c(-c2ccc3cc([Si](C)(C)C)c(C)cc3[n+]2C)c1C
InChIInChI=1S/C28H30NOSi/c1-17-14-22-21-10-8-9-11-25(21)30-28(22)27(19(17)3)23-13-12-20-16-26(31(5,6)7)18(2)15-24(20)29(23)4/h8-16H,1-7H3/q+1/i1D3
InChIKeySCEQKJBJVTYTGB-FIBGUPNXSA-N
MW427.66 g/mol
LogP6.70
Rot. Bonds3

About [1,7-dimethyl-2-[3-methyl-2-(trideuteriomethyl)dibenzofuran-4-yl]quinolin-1-ium-6-yl]-trimethylsilane

[1,7-dimethyl-2-[3-methyl-2-(trideuteriomethyl)dibenzofuran-4-yl]quinolin-1-ium-6-yl]-trimethylsilane (PubChem CID 163479043) has the molecular formula C28H30NOSi+ and a molecular weight of 427.66 g/mol. Its IUPAC name is [1,7-dimethyl-2-[3-methyl-2-(trideuteriomethyl)dibenzofuran-4-yl]quinolin-1-ium-6-yl]-trimethylsilane.

Molecular Properties

Compound Name[1,7-dimethyl-2-[3-methyl-2-(trideuteriomethyl)dibenzofuran-4-yl]quinolin-1-ium-6-yl]-trimethylsilane
PubChem CID163479043
Molecular FormulaC28H30NOSi+
Molecular Weight427.66 g/mol
Exact Mass427.23
IUPAC Name[1,7-dimethyl-2-[3-methyl-2-(trideuteriomethyl)dibenzofuran-4-yl]quinolin-1-ium-6-yl]-trimethylsilane
SMILES[2H]C([2H])([2H])c1cc2c(oc3ccccc32)c(-c2ccc3cc([Si](C)(C)C)c(C)cc3[n+]2C)c1C
InChIInChI=1S/C28H30NOSi/c1-17-14-22-21-10-8-9-11-25(21)30-28(22)27(19(17)3)23-13-12-20-16-26(31(5,6)7)18(2)15-24(20)29(23)4/h8-16H,1-7H3/q+1/i1D3
InChIKeySCEQKJBJVTYTGB-FIBGUPNXSA-N
XLogP6.70
TPSA17.02 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.66
LogP ≤ 56.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze [1,7-dimethyl-2-[3-methyl-2-(trideuteriomethyl)dibenzofuran-4-yl]quinolin-1-ium-6-yl]-trimethylsilane with MolForge

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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
[2-(7-fluoro-2,3-dimethyldibenzofuran-4-yl)-1-methylquinolin-1-ium-4-yl]-trimethylsilane
CID 164807753
[2-(2,3-dimethyldibenzofuran-4-yl)-1-methyl-6-(2-methylpropyl)quinolin-1-ium-4-yl]-trimethylsilane
CID 164807728
[4-deuterio-6-fluoro-2-(7-fluoro-2,3-dimethyldibenzofuran-4-yl)-1-methylquinolin-1-ium-7-yl]-trimethylsilane
CID 162494243
2,6,7-trimethyl-8-(1-methylquinolin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine
CID 140802292
[4-(2,2-dimethylpropyl)-2-(7-fluoro-2,3-dimethyldibenzofuran-4-yl)-1,7-dimethylquinolin-1-ium-6-yl]-trimethylsilane
CID 163542204
9-[2-(2,3-dimethyldibenzofuran-4-yl)-1,6-dimethylquinolin-1-ium-4-yl]carbazole
CID 171458896
trimethyl-[1-methyl-2-(2-methyldibenzofuran-1-yl)quinolin-1-ium-6-yl]silane
CID 164807681
[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
1,4-dimethyl-2-(5-methylnaphtho[2,1-b][1]benzofuran-6-yl)quinolin-1-ium
CID 146947606
dimethyl-[1-methyl-2-(3-methyldibenzofuran-4-yl)quinolin-1-ium-4-yl]-phenylsilane
CID 164807935
3-methyl-4-[1-methyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-[1]benzofuro[3,2-c]pyridine
CID 140791369

Frequently Asked Questions

What is the IUPAC name of [1,7-dimethyl-2-[3-methyl-2-(trideuteriomethyl)dibenzofuran-4-yl]quinolin-1-ium-6-yl]-trimethylsilane?
The IUPAC name of [1,7-dimethyl-2-[3-methyl-2-(trideuteriomethyl)dibenzofuran-4-yl]quinolin-1-ium-6-yl]-trimethylsilane (CID 163479043) is [1,7-dimethyl-2-[3-methyl-2-(trideuteriomethyl)dibenzofuran-4-yl]quinolin-1-ium-6-yl]-trimethylsilane.
What is the SMILES notation for [1,7-dimethyl-2-[3-methyl-2-(trideuteriomethyl)dibenzofuran-4-yl]quinolin-1-ium-6-yl]-trimethylsilane?
The canonical SMILES for [1,7-dimethyl-2-[3-methyl-2-(trideuteriomethyl)dibenzofuran-4-yl]quinolin-1-ium-6-yl]-trimethylsilane is [2H]C([2H])([2H])c1cc2c(oc3ccccc32)c(-c2ccc3cc([Si](C)(C)C)c(C)cc3[n+]2C)c1C.
What is the InChIKey of [1,7-dimethyl-2-[3-methyl-2-(trideuteriomethyl)dibenzofuran-4-yl]quinolin-1-ium-6-yl]-trimethylsilane?
The InChIKey is SCEQKJBJVTYTGB-FIBGUPNXSA-N. The full InChI is InChI=1S/C28H30NOSi/c1-17-14-22-21-10-8-9-11-25(21)30-28(22)27(19(17)3)23-13-12-20-16-26(31(5,6)7)18(2)15-24(20)29(23)4/h8-16H,1-7H3/q+1/i1D3.
What are the key properties of [1,7-dimethyl-2-[3-methyl-2-(trideuteriomethyl)dibenzofuran-4-yl]quinolin-1-ium-6-yl]-trimethylsilane?
[1,7-dimethyl-2-[3-methyl-2-(trideuteriomethyl)dibenzofuran-4-yl]quinolin-1-ium-6-yl]-trimethylsilane has a molecular weight of 427.66 g/mol, XLogP of 6.70, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1,7-dimethyl-2-[3-methyl-2-(trideuteriomethyl)dibenzofuran-4-yl]quinolin-1-ium-6-yl]-trimethylsilane is sourced from PubChem (CID 163479043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).