[2-(2,3-dimethyldibenzofuran-4-yl)-1-methyl-6-propan-2-ylquinolin-1-ium-4-yl]-trimethylsilane

C30H34NOSi+ — CID 164808000

IUPAC[2-(2,3-dimethyldibenzofuran-4-yl)-1-methyl-6-propan-2-ylquinolin-1-ium-4-yl]-trimethylsilane
SMILESCc1cc2c(oc3ccccc32)c(-c2cc([Si](C)(C)C)c3cc(C(C)C)ccc3[n+]2C)c1C
InChIInChI=1S/C30H34NOSi/c1-18(2)21-13-14-25-24(16-21)28(33(6,7)8)17-26(31(25)5)29-20(4)19(3)15-23-22-11-9-10-12-27(22)32-30(23)29/h9-18H,1-8H3/q+1
InChIKeyROJLMLCDOMVPCL-UHFFFAOYSA-N
MW452.69 g/mol
LogP7.52
Rot. Bonds3

About [2-(2,3-dimethyldibenzofuran-4-yl)-1-methyl-6-propan-2-ylquinolin-1-ium-4-yl]-trimethylsilane

[2-(2,3-dimethyldibenzofuran-4-yl)-1-methyl-6-propan-2-ylquinolin-1-ium-4-yl]-trimethylsilane (PubChem CID 164808000) has the molecular formula C30H34NOSi+ and a molecular weight of 452.69 g/mol. Its IUPAC name is [2-(2,3-dimethyldibenzofuran-4-yl)-1-methyl-6-propan-2-ylquinolin-1-ium-4-yl]-trimethylsilane.

Molecular Properties

Compound Name[2-(2,3-dimethyldibenzofuran-4-yl)-1-methyl-6-propan-2-ylquinolin-1-ium-4-yl]-trimethylsilane
PubChem CID164808000
Molecular FormulaC30H34NOSi+
Molecular Weight452.69 g/mol
Exact Mass452.24
IUPAC Name[2-(2,3-dimethyldibenzofuran-4-yl)-1-methyl-6-propan-2-ylquinolin-1-ium-4-yl]-trimethylsilane
SMILESCc1cc2c(oc3ccccc32)c(-c2cc([Si](C)(C)C)c3cc(C(C)C)ccc3[n+]2C)c1C
InChIInChI=1S/C30H34NOSi/c1-18(2)21-13-14-25-24(16-21)28(33(6,7)8)17-26(31(25)5)29-20(4)19(3)15-23-22-11-9-10-12-27(22)32-30(23)29/h9-18H,1-8H3/q+1
InChIKeyROJLMLCDOMVPCL-UHFFFAOYSA-N
XLogP7.52
TPSA17.02 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.69
LogP ≤ 57.52
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-(2-methylpropyl)quinolin-1-ium-4-yl]-trimethylsilane
CID 164807728
[2-(7-fluoro-2,3-dimethyldibenzofuran-4-yl)-1-methylquinolin-1-ium-4-yl]-trimethylsilane
CID 164807753
[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
[1,7-dimethyl-2-[3-methyl-2-(trideuteriomethyl)dibenzofuran-4-yl]quinolin-1-ium-6-yl]-trimethylsilane
CID 163479043
9-[2-(2,3-dimethyldibenzofuran-4-yl)-1,6-dimethylquinolin-1-ium-4-yl]carbazole
CID 171458896
1-methyl-2-(3-methyldibenzofuran-4-yl)-4-propan-2-ylquinolin-1-ium
CID 167358246
[7-tert-butyl-2-(7-isocyano-2,3-dimethyldibenzofuran-4-yl)-1-methylquinolin-1-ium-4-yl]-trimethylsilane
CID 164807959
dimethyl-[1-methyl-2-(3-methyldibenzofuran-4-yl)quinolin-1-ium-4-yl]-phenylsilane
CID 164807935
1,4-dimethyl-2-(5-methylnaphtho[2,1-b][1]benzofuran-6-yl)quinolin-1-ium
CID 146947606
[4-(2,2-dimethylpropyl)-2-(7-fluoro-2,3-dimethyldibenzofuran-4-yl)-1,7-dimethylquinolin-1-ium-6-yl]-trimethylsilane
CID 163542204
[2-(7-isocyano-2,3-dimethyldibenzofuran-4-yl)-1-methyl-4-(2-methylpropyl)quinolin-1-ium-6-yl]-trimethylsilane
CID 164808010
4-bromo-2-propan-2-yldibenzofuran
CID 166912960

Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dimethyldibenzofuran-4-yl)-1-methyl-6-propan-2-ylquinolin-1-ium-4-yl]-trimethylsilane?
The IUPAC name of [2-(2,3-dimethyldibenzofuran-4-yl)-1-methyl-6-propan-2-ylquinolin-1-ium-4-yl]-trimethylsilane (CID 164808000) is [2-(2,3-dimethyldibenzofuran-4-yl)-1-methyl-6-propan-2-ylquinolin-1-ium-4-yl]-trimethylsilane.
What is the SMILES notation for [2-(2,3-dimethyldibenzofuran-4-yl)-1-methyl-6-propan-2-ylquinolin-1-ium-4-yl]-trimethylsilane?
The canonical SMILES for [2-(2,3-dimethyldibenzofuran-4-yl)-1-methyl-6-propan-2-ylquinolin-1-ium-4-yl]-trimethylsilane is Cc1cc2c(oc3ccccc32)c(-c2cc([Si](C)(C)C)c3cc(C(C)C)ccc3[n+]2C)c1C.
What is the InChIKey of [2-(2,3-dimethyldibenzofuran-4-yl)-1-methyl-6-propan-2-ylquinolin-1-ium-4-yl]-trimethylsilane?
The InChIKey is ROJLMLCDOMVPCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34NOSi/c1-18(2)21-13-14-25-24(16-21)28(33(6,7)8)17-26(31(25)5)29-20(4)19(3)15-23-22-11-9-10-12-27(22)32-30(23)29/h9-18H,1-8H3/q+1.
What are the key properties of [2-(2,3-dimethyldibenzofuran-4-yl)-1-methyl-6-propan-2-ylquinolin-1-ium-4-yl]-trimethylsilane?
[2-(2,3-dimethyldibenzofuran-4-yl)-1-methyl-6-propan-2-ylquinolin-1-ium-4-yl]-trimethylsilane has a molecular weight of 452.69 g/mol, XLogP of 7.52, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-dimethyldibenzofuran-4-yl)-1-methyl-6-propan-2-ylquinolin-1-ium-4-yl]-trimethylsilane is sourced from PubChem (CID 164808000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).