dimethyl-[1-methyl-2-(3-methyldibenzofuran-4-yl)quinolin-1-ium-4-yl]-phenylsilane

C31H28NOSi+ — CID 164807935

IUPACdimethyl-[1-methyl-2-(3-methyldibenzofuran-4-yl)quinolin-1-ium-4-yl]-phenylsilane
SMILESCc1ccc2c(oc3ccccc32)c1-c1cc([Si](C)(C)c2ccccc2)c2ccccc2[n+]1C
InChIInChI=1S/C31H28NOSi/c1-21-18-19-24-23-14-9-11-17-28(23)33-31(24)30(21)27-20-29(25-15-8-10-16-26(25)32(27)2)34(3,4)22-12-6-5-7-13-22/h5-20H,1-4H3/q+1
InChIKeyZSLIYVWDAZNKHL-UHFFFAOYSA-N
MW458.66 g/mol
LogP6.36
Rot. Bonds3

About dimethyl-[1-methyl-2-(3-methyldibenzofuran-4-yl)quinolin-1-ium-4-yl]-phenylsilane

dimethyl-[1-methyl-2-(3-methyldibenzofuran-4-yl)quinolin-1-ium-4-yl]-phenylsilane (PubChem CID 164807935) has the molecular formula C31H28NOSi+ and a molecular weight of 458.66 g/mol. Its IUPAC name is dimethyl-[1-methyl-2-(3-methyldibenzofuran-4-yl)quinolin-1-ium-4-yl]-phenylsilane.

Molecular Properties

Compound Namedimethyl-[1-methyl-2-(3-methyldibenzofuran-4-yl)quinolin-1-ium-4-yl]-phenylsilane
PubChem CID164807935
Molecular FormulaC31H28NOSi+
Molecular Weight458.66 g/mol
Exact Mass458.19
IUPAC Namedimethyl-[1-methyl-2-(3-methyldibenzofuran-4-yl)quinolin-1-ium-4-yl]-phenylsilane
SMILESCc1ccc2c(oc3ccccc32)c1-c1cc([Si](C)(C)c2ccccc2)c2ccccc2[n+]1C
InChIInChI=1S/C31H28NOSi/c1-21-18-19-24-23-14-9-11-17-28(23)33-31(24)30(21)27-20-29(25-15-8-10-16-26(25)32(27)2)34(3,4)22-12-6-5-7-13-22/h5-20H,1-4H3/q+1
InChIKeyZSLIYVWDAZNKHL-UHFFFAOYSA-N
XLogP6.36
TPSA17.02 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.66
LogP ≤ 56.36
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

1-methyl-2-(3-methyldibenzofuran-4-yl)-4-propan-2-ylquinolin-1-ium
CID 167358246
[2-(7-fluoro-2,3-dimethyldibenzofuran-4-yl)-1-methylquinolin-1-ium-4-yl]-trimethylsilane
CID 164807753
1-methyl-2-(3-methyldibenzofuran-4-yl)-4-phenylpyridin-1-ium
CID 123854314
trimethyl-[7-methyl-6-(1-methylpyridin-1-ium-2-yl)dibenzofuran-3-yl]silane
CID 167358131
1,4-dimethyl-2-(5-methylnaphtho[2,1-b][1]benzofuran-6-yl)quinolin-1-ium
CID 146947606
[2-(2,3-dimethyldibenzofuran-4-yl)-1-methyl-6-propan-2-ylquinolin-1-ium-4-yl]-trimethylsilane
CID 164808000
1-methyl-2-(3-methyl-6-phenyldibenzofuran-4-yl)-4-propan-2-ylquinolin-1-ium
CID 167358127
1-methyl-2-(3-methyldibenzofuran-4-yl)-5-pyridin-2-ylpyridin-1-ium
CID 164798219
1-methyl-2-(7-methyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-8-yl)-5-(trideuteriomethyl)pyridin-1-ium
CID 153418212
2-(3-methyldibenzofuran-4-yl)pyridine
CID 118074682
trimethyl-[4-[4-[1-methyl-2-(3-methyldibenzofuran-4-yl)-5-(trideuteriomethyl)pyridin-1-ium-4-yl]-3,5-bis(trideuteriomethyl)phenyl]phenyl]silane
CID 171723727
[2-(2,3-dimethyldibenzofuran-4-yl)-1-methyl-6-(2-methylpropyl)quinolin-1-ium-4-yl]-trimethylsilane
CID 164807728

Frequently Asked Questions

What is the IUPAC name of dimethyl-[1-methyl-2-(3-methyldibenzofuran-4-yl)quinolin-1-ium-4-yl]-phenylsilane?
The IUPAC name of dimethyl-[1-methyl-2-(3-methyldibenzofuran-4-yl)quinolin-1-ium-4-yl]-phenylsilane (CID 164807935) is dimethyl-[1-methyl-2-(3-methyldibenzofuran-4-yl)quinolin-1-ium-4-yl]-phenylsilane.
What is the SMILES notation for dimethyl-[1-methyl-2-(3-methyldibenzofuran-4-yl)quinolin-1-ium-4-yl]-phenylsilane?
The canonical SMILES for dimethyl-[1-methyl-2-(3-methyldibenzofuran-4-yl)quinolin-1-ium-4-yl]-phenylsilane is Cc1ccc2c(oc3ccccc32)c1-c1cc([Si](C)(C)c2ccccc2)c2ccccc2[n+]1C.
What is the InChIKey of dimethyl-[1-methyl-2-(3-methyldibenzofuran-4-yl)quinolin-1-ium-4-yl]-phenylsilane?
The InChIKey is ZSLIYVWDAZNKHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28NOSi/c1-21-18-19-24-23-14-9-11-17-28(23)33-31(24)30(21)27-20-29(25-15-8-10-16-26(25)32(27)2)34(3,4)22-12-6-5-7-13-22/h5-20H,1-4H3/q+1.
What are the key properties of dimethyl-[1-methyl-2-(3-methyldibenzofuran-4-yl)quinolin-1-ium-4-yl]-phenylsilane?
dimethyl-[1-methyl-2-(3-methyldibenzofuran-4-yl)quinolin-1-ium-4-yl]-phenylsilane has a molecular weight of 458.66 g/mol, XLogP of 6.36, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[1-methyl-2-(3-methyldibenzofuran-4-yl)quinolin-1-ium-4-yl]-phenylsilane is sourced from PubChem (CID 164807935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).