[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

C82H87N4O3Si3+3 — CID 163587086

IUPAC[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
SMILESCc1ccc2c(c1)c([Si](C)(C)C)cc(-c1c(C)c(C)cc3c1oc1nc(C)ccc13)[n+]2C.Cc1ccc2c(c1)c([Si](C)(C)C)cc(-c1cc3c(cc1C)oc1ccccc13)[n+]2C.Cc1ccc2c(c1)c([Si](C)(C)C)cc(-c1cc3oc4ccccc4c3cc1C)[n+]2C
InChIInChI=1S/C28H31N2OSi.2C27H28NOSi/c1-16-9-12-23-22(13-16)25(32(6,7)8)15-24(30(23)5)26-19(4)17(2)14-21-20-11-10-18(3)29-28(20)31-27(21)26;1-17-11-12-23-22(13-17)27(30(4,5)6)16-24(28(23)3)20-15-21-19-9-7-8-10-25(19)29-26(21)14-18(20)2;1-17-11-12-23-22(13-17)27(30(4,5)6)16-24(28(23)3)20-15-26-21(14-18(20)2)19-9-7-8-10-25(19)29-26/h9-15H,1-8H3;2*7-16H,1-6H3/q3*+1
InChIKeyLHMKGVFRMDMTMD-UHFFFAOYSA-N
MW1260.88 g/mol
LogP19.19
Rot. Bonds6

About [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

[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 (PubChem CID 163587086) has the molecular formula C82H87N4O3Si3+3 and a molecular weight of 1260.88 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID163587086
Molecular FormulaC82H87N4O3Si3+3
Molecular Weight1260.88 g/mol
Exact Mass1259.61
IUPAC Name[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
SMILESCc1ccc2c(c1)c([Si](C)(C)C)cc(-c1c(C)c(C)cc3c1oc1nc(C)ccc13)[n+]2C.Cc1ccc2c(c1)c([Si](C)(C)C)cc(-c1cc3c(cc1C)oc1ccccc13)[n+]2C.Cc1ccc2c(c1)c([Si](C)(C)C)cc(-c1cc3oc4ccccc4c3cc1C)[n+]2C
InChIInChI=1S/C28H31N2OSi.2C27H28NOSi/c1-16-9-12-23-22(13-16)25(32(6,7)8)15-24(30(23)5)26-19(4)17(2)14-21-20-11-10-18(3)29-28(20)31-27(21)26;1-17-11-12-23-22(13-17)27(30(4,5)6)16-24(28(23)3)20-15-21-19-9-7-8-10-25(19)29-26(21)14-18(20)2;1-17-11-12-23-22(13-17)27(30(4,5)6)16-24(28(23)3)20-15-26-21(14-18(20)2)19-9-7-8-10-25(19)29-26/h9-15H,1-8H3;2*7-16H,1-6H3/q3*+1
InChIKeyLHMKGVFRMDMTMD-UHFFFAOYSA-N
XLogP19.19
TPSA63.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms92
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001260.88
LogP ≤ 519.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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'}

Analyze [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 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
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
[1,7-dimethyl-2-[3-methyl-2-(trideuteriomethyl)dibenzofuran-4-yl]quinolin-1-ium-6-yl]-trimethylsilane
CID 163479043
5,12-dimethyl-13-(1-methylpyridin-1-ium-2-yl)-8,16-dioxa-6-azatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),2(7),3,5,10(15),11,13-heptaene
CID 140828100
[7-tert-butyl-2-(7-isocyano-2,3-dimethyldibenzofuran-4-yl)-1-methylquinolin-1-ium-4-yl]-trimethylsilane
CID 164807959
2,7-dimethyl-[1]benzofuro[2,3-b]pyridine
CID 122520461
4-(3,5-dimethylphenyl)-6-(7-fluoro-2-methyldibenzofuran-3-yl)-1-methylpyrimidin-1-ium;4-(3,5-dimethylphenyl)-6-(7-fluoro-3-methyldibenzofuran-2-yl)-1-methylpyrimidin-1-ium;4-(2,6-dimethyl-4-pyridinyl)-6-(7-fluoro-2,3-dimethyldibenzofuran-4-yl)-1-methylpyrimidin-1-ium;4-(2,6-dimethyl-4-pyridinyl)-6-(7-fluoro-2-methyldibenzofuran-3-yl)-1-methylpyrimidin-1-ium
CID 157055471
trimethyl-[1-methyl-6-(3-methyldibenzofuran-2-yl)pyridin-1-ium-3-yl]silane
CID 167365206
dimethyl-[1-methyl-2-(3-methyldibenzofuran-4-yl)quinolin-1-ium-4-yl]-phenylsilane
CID 164807935

Frequently Asked Questions

What is the IUPAC name of [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?
The IUPAC name of [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) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is Cc1ccc2c(c1)c([Si](C)(C)C)cc(-c1c(C)c(C)cc3c1oc1nc(C)ccc13)[n+]2C.Cc1ccc2c(c1)c([Si](C)(C)C)cc(-c1cc3c(cc1C)oc1ccccc13)[n+]2C.Cc1ccc2c(c1)c([Si](C)(C)C)cc(-c1cc3oc4ccccc4c3cc1C)[n+]2C.
What is the InChIKey of [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?
The InChIKey is LHMKGVFRMDMTMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N2OSi.2C27H28NOSi/c1-16-9-12-23-22(13-16)25(32(6,7)8)15-24(30(23)5)26-19(4)17(2)14-21-20-11-10-18(3)29-28(20)31-27(21)26;1-17-11-12-23-22(13-17)27(30(4,5)6)16-24(28(23)3)20-15-21-19-9-7-8-10-25(19)29-26(21)14-18(20)2;1-17-11-12-23-22(13-17)27(30(4,5)6)16-24(28(23)3)20-15-26-21(14-18(20)2)19-9-7-8-10-25(19)29-26/h9-15H,1-8H3;2*7-16H,1-6H3/q3*+1.
What are the key properties of [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?
[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 has a molecular weight of 1260.88 g/mol, XLogP of 19.19, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [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 is sourced from PubChem (CID 163587086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).