1,4,5-trimethyl-2-(3,10,10-trimethylbenzo[b][1,4]benzoxasilin-4-yl)pyridin-1-ium

C23H26NOSi+ — CID 140839635

IUPAC1,4,5-trimethyl-2-(3,10,10-trimethylbenzo[b][1,4]benzoxasilin-4-yl)pyridin-1-ium
SMILESCc1cc(-c2c(C)ccc3c2Oc2ccccc2[Si]3(C)C)[n+](C)cc1C
InChIInChI=1S/C23H26NOSi/c1-15-11-12-21-23(22(15)18-13-16(2)17(3)14-24(18)4)25-19-9-7-8-10-20(19)26(21,5)6/h7-14H,1-6H3/q+1
InChIKeyAKLMRZOKGSIGDL-UHFFFAOYSA-N
MW360.55 g/mol
LogP4.03
Rot. Bonds1

About 1,4,5-trimethyl-2-(3,10,10-trimethylbenzo[b][1,4]benzoxasilin-4-yl)pyridin-1-ium

1,4,5-trimethyl-2-(3,10,10-trimethylbenzo[b][1,4]benzoxasilin-4-yl)pyridin-1-ium (PubChem CID 140839635) has the molecular formula C23H26NOSi+ and a molecular weight of 360.55 g/mol. Its IUPAC name is 1,4,5-trimethyl-2-(3,10,10-trimethylbenzo[b][1,4]benzoxasilin-4-yl)pyridin-1-ium.

Molecular Properties

Compound Name1,4,5-trimethyl-2-(3,10,10-trimethylbenzo[b][1,4]benzoxasilin-4-yl)pyridin-1-ium
PubChem CID140839635
Molecular FormulaC23H26NOSi+
Molecular Weight360.55 g/mol
Exact Mass360.18
IUPAC Name1,4,5-trimethyl-2-(3,10,10-trimethylbenzo[b][1,4]benzoxasilin-4-yl)pyridin-1-ium
SMILESCc1cc(-c2c(C)ccc3c2Oc2ccccc2[Si]3(C)C)[n+](C)cc1C
InChIInChI=1S/C23H26NOSi/c1-15-11-12-21-23(22(15)18-13-16(2)17(3)14-24(18)4)25-19-9-7-8-10-20(19)26(21,5)6/h7-14H,1-6H3/q+1
InChIKeyAKLMRZOKGSIGDL-UHFFFAOYSA-N
XLogP4.03
TPSA13.11 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.55
LogP ≤ 54.03
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'}

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Related Compounds

1,5-dimethyl-4-(trideuteriomethyl)-2-(3,10,10-trimethylbenzo[b][1,4]benzoxasilin-2-yl)pyridin-1-ium
CID 158756758
1,4-dimethyl-5-(trideuteriomethyl)-2-(3,10,10-trimethylbenzo[b][1,4]benzothiasilin-4-yl)pyridin-1-ium
CID 157470173
1,5-dimethyl-2-(2,5,5,10,10-pentamethylbenzo[b][1]benzosilin-1-yl)pyridin-1-ium;1,4-dimethyl-2-(2,5,5,10,10-pentamethylbenzo[b][1]benzosilin-1-yl)-5-(trideuteriomethyl)pyridin-1-ium;1-methyl-2-(2,5,5,10,10-pentamethylbenzo[b][1]benzosilin-1-yl)-5-(trideuteriomethyl)pyridin-1-ium;1,4,5-trimethyl-2-(2,5,5,10,10-pentamethylbenzo[b][1]benzosilin-1-yl)pyridin-1-ium
CID 161479909
10,10-dimethyl-4-[4-(2,3,4,5,6-pentakis-phenylphenyl)phenyl]-3-(trideuteriomethyl)benzo[b][1,4]benzoxasiline
CID 140947679
2-(3-isocyano-5,5,7-trimethyl-4-phenylbenzo[b][1]benzosilol-6-yl)-1,4,5-trimethylpyridin-1-ium
CID 162505913
4-[4-[4-(9,9-dimethylxanthen-4-yl)-2,5-dimethylphenyl]-2,5-dimethylphenyl]-10,10-dimethylbenzo[b][1,4]benzoxasiline
CID 174068734
1,4,5-trimethyl-2-(7-methyl-12-phenyl-2,10-dioxa-12-borapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),3(11),4(9),5,7,14,16,18,20-nonaen-8-yl)pyridin-1-ium
CID 167317348
2-[6-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-7-fluoro-3-methyldibenzofuran-4-yl]-4-fluoro-1,5-dimethylpyridin-1-ium
CID 169283151
1,4-dimethyl-2-(6-methyl-2,3-dihydro-1-benzofuran-7-yl)-5-phenylpyridin-1-ium
CID 158626019
2-(7-fluoro-3-methyl-6-phenanthren-9-yldibenzofuran-4-yl)-1,4,5-trimethylpyridin-1-ium
CID 169077031
1-methyl-2-(2,5,5,10,10-pentamethylsilanthren-1-yl)pyrazin-1-ium;1-methyl-2-(2,10,10-trimethylbenzo[b][1,4]benzothiasilin-1-yl)pyrazin-1-ium;1-methyl-2-(3,10,10-trimethylbenzo[b][1,4]benzothiasilin-4-yl)pyrazin-1-ium;1-methyl-2-(3,10,10-trimethylbenzo[b][1,4]benzoxasilin-4-yl)pyrazin-1-ium;1-methyl-2-(2,9,9-trimethylxanthen-1-yl)pyrazin-1-ium;1-methyl-2-(3,9,9-trimethylxanthen-4-yl)pyrazin-1-ium
CID 159729812
1,4-dimethyl-5-phenyl-2-(2,2,7-trimethyl-3,4-dihydrochromen-8-yl)pyridin-1-ium
CID 157351072

Frequently Asked Questions

What is the IUPAC name of 1,4,5-trimethyl-2-(3,10,10-trimethylbenzo[b][1,4]benzoxasilin-4-yl)pyridin-1-ium?
The IUPAC name of 1,4,5-trimethyl-2-(3,10,10-trimethylbenzo[b][1,4]benzoxasilin-4-yl)pyridin-1-ium (CID 140839635) is 1,4,5-trimethyl-2-(3,10,10-trimethylbenzo[b][1,4]benzoxasilin-4-yl)pyridin-1-ium.
What is the SMILES notation for 1,4,5-trimethyl-2-(3,10,10-trimethylbenzo[b][1,4]benzoxasilin-4-yl)pyridin-1-ium?
The canonical SMILES for 1,4,5-trimethyl-2-(3,10,10-trimethylbenzo[b][1,4]benzoxasilin-4-yl)pyridin-1-ium is Cc1cc(-c2c(C)ccc3c2Oc2ccccc2[Si]3(C)C)[n+](C)cc1C.
What is the InChIKey of 1,4,5-trimethyl-2-(3,10,10-trimethylbenzo[b][1,4]benzoxasilin-4-yl)pyridin-1-ium?
The InChIKey is AKLMRZOKGSIGDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26NOSi/c1-15-11-12-21-23(22(15)18-13-16(2)17(3)14-24(18)4)25-19-9-7-8-10-20(19)26(21,5)6/h7-14H,1-6H3/q+1.
What are the key properties of 1,4,5-trimethyl-2-(3,10,10-trimethylbenzo[b][1,4]benzoxasilin-4-yl)pyridin-1-ium?
1,4,5-trimethyl-2-(3,10,10-trimethylbenzo[b][1,4]benzoxasilin-4-yl)pyridin-1-ium has a molecular weight of 360.55 g/mol, XLogP of 4.03, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,5-trimethyl-2-(3,10,10-trimethylbenzo[b][1,4]benzoxasilin-4-yl)pyridin-1-ium is sourced from PubChem (CID 140839635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).