trimethyl-[1-methyl-2-(2-methyldibenzofuran-1-yl)quinolin-1-ium-6-yl]silane

C26H26NOSi+ — CID 164807681

IUPACtrimethyl-[1-methyl-2-(2-methyldibenzofuran-1-yl)quinolin-1-ium-6-yl]silane
SMILESCc1ccc2oc3ccccc3c2c1-c1ccc2cc([Si](C)(C)C)ccc2[n+]1C
InChIInChI=1S/C26H26NOSi/c1-17-10-15-24-26(20-8-6-7-9-23(20)28-24)25(17)22-13-11-18-16-19(29(3,4)5)12-14-21(18)27(22)2/h6-16H,1-5H3/q+1
InChIKeyRUHVHXKPODDDAL-UHFFFAOYSA-N
MW396.59 g/mol
LogP6.08
Rot. Bonds2

About trimethyl-[1-methyl-2-(2-methyldibenzofuran-1-yl)quinolin-1-ium-6-yl]silane

trimethyl-[1-methyl-2-(2-methyldibenzofuran-1-yl)quinolin-1-ium-6-yl]silane (PubChem CID 164807681) has the molecular formula C26H26NOSi+ and a molecular weight of 396.59 g/mol. Its IUPAC name is trimethyl-[1-methyl-2-(2-methyldibenzofuran-1-yl)quinolin-1-ium-6-yl]silane.

Molecular Properties

Compound Nametrimethyl-[1-methyl-2-(2-methyldibenzofuran-1-yl)quinolin-1-ium-6-yl]silane
PubChem CID164807681
Molecular FormulaC26H26NOSi+
Molecular Weight396.59 g/mol
Exact Mass396.18
IUPAC Nametrimethyl-[1-methyl-2-(2-methyldibenzofuran-1-yl)quinolin-1-ium-6-yl]silane
SMILESCc1ccc2oc3ccccc3c2c1-c1ccc2cc([Si](C)(C)C)ccc2[n+]1C
InChIInChI=1S/C26H26NOSi/c1-17-10-15-24-26(20-8-6-7-9-23(20)28-24)25(17)22-13-11-18-16-19(29(3,4)5)12-14-21(18)27(22)2/h6-16H,1-5H3/q+1
InChIKeyRUHVHXKPODDDAL-UHFFFAOYSA-N
XLogP6.08
TPSA17.02 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.59
LogP ≤ 56.08
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-(4-tert-butyl-1-methylnaphthalen-2-yl)-1-methylquinolin-1-ium-6-yl]-trimethylsilane
CID 166054514
[1,7-dimethyl-2-[3-methyl-2-(trideuteriomethyl)dibenzofuran-4-yl]quinolin-1-ium-6-yl]-trimethylsilane
CID 163479043
dimethyl-[1-methyl-2-(3-methyldibenzofuran-4-yl)quinolin-1-ium-4-yl]-phenylsilane
CID 164807935
2-[8-(2,6-ditert-butyl-4-pyridinyl)-3-methyldibenzofuran-4-yl]-1-methylquinolin-1-ium
CID 176787825
trimethyl-[1-methyl-6-(3-methyldibenzofuran-2-yl)pyridin-1-ium-3-yl]silane
CID 167365206
3-methyl-2-(2,9,9-trimethylfluoren-1-yl)-[1]benzofuro[2,3-g][1,3]benzoxazol-3-ium
CID 177124559
2-(1,7-difluoro-3-methyldibenzofuran-4-yl)-1-methylquinolin-1-ium
CID 147549881
20-methyl-21-(6-methyl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaen-5-yl)-15,22-dioxa-20-azoniahexacyclo[12.10.0.03,12.04,9.016,24.019,23]tetracosa-1(14),2,4,6,8,10,12,16(24),17,19(23),20-undecaene
CID 177124518
1,4-dimethyl-2-(5-methylnaphtho[2,1-b][1]benzofuran-6-yl)quinolin-1-ium
CID 146947606
2-anthracen-9-yl-1-methylquinolin-1-ium
CID 141313920
2-[6-(4,6-diphenylpyrimidin-2-yl)-3-methyldibenzofuran-4-yl]-1-methylquinolin-1-ium
CID 176787893
trimethyl-[7-methyl-6-(1-methylpyridin-1-ium-2-yl)dibenzofuran-3-yl]silane
CID 167358131

Frequently Asked Questions

What is the IUPAC name of trimethyl-[1-methyl-2-(2-methyldibenzofuran-1-yl)quinolin-1-ium-6-yl]silane?
The IUPAC name of trimethyl-[1-methyl-2-(2-methyldibenzofuran-1-yl)quinolin-1-ium-6-yl]silane (CID 164807681) is trimethyl-[1-methyl-2-(2-methyldibenzofuran-1-yl)quinolin-1-ium-6-yl]silane.
What is the SMILES notation for trimethyl-[1-methyl-2-(2-methyldibenzofuran-1-yl)quinolin-1-ium-6-yl]silane?
The canonical SMILES for trimethyl-[1-methyl-2-(2-methyldibenzofuran-1-yl)quinolin-1-ium-6-yl]silane is Cc1ccc2oc3ccccc3c2c1-c1ccc2cc([Si](C)(C)C)ccc2[n+]1C.
What is the InChIKey of trimethyl-[1-methyl-2-(2-methyldibenzofuran-1-yl)quinolin-1-ium-6-yl]silane?
The InChIKey is RUHVHXKPODDDAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26NOSi/c1-17-10-15-24-26(20-8-6-7-9-23(20)28-24)25(17)22-13-11-18-16-19(29(3,4)5)12-14-21(18)27(22)2/h6-16H,1-5H3/q+1.
What are the key properties of trimethyl-[1-methyl-2-(2-methyldibenzofuran-1-yl)quinolin-1-ium-6-yl]silane?
trimethyl-[1-methyl-2-(2-methyldibenzofuran-1-yl)quinolin-1-ium-6-yl]silane has a molecular weight of 396.59 g/mol, XLogP of 6.08, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[1-methyl-2-(2-methyldibenzofuran-1-yl)quinolin-1-ium-6-yl]silane is sourced from PubChem (CID 164807681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).