trimethyl-[6-[5-(trideuteriomethyl)-2-pyridinyl]dibenzothiophen-4-yl]silane

C21H21NSSi — CID 155608293

IUPACtrimethyl-[6-[5-(trideuteriomethyl)-2-pyridinyl]dibenzothiophen-4-yl]silane
SMILES[2H]C([2H])([2H])c1ccc(-c2cccc3c2sc2c([Si](C)(C)C)cccc23)nc1
InChIInChI=1S/C21H21NSSi/c1-14-11-12-18(22-13-14)17-9-5-7-15-16-8-6-10-19(24(2,3)4)21(16)23-20(15)17/h5-13H,1-4H3/i1D3
InChIKeyMIVNKTNLKGJKLV-FIBGUPNXSA-N
MW350.58 g/mol
LogP5.97
Rot. Bonds3

About trimethyl-[6-[5-(trideuteriomethyl)-2-pyridinyl]dibenzothiophen-4-yl]silane

trimethyl-[6-[5-(trideuteriomethyl)-2-pyridinyl]dibenzothiophen-4-yl]silane (PubChem CID 155608293) has the molecular formula C21H21NSSi and a molecular weight of 350.58 g/mol. Its IUPAC name is trimethyl-[6-[5-(trideuteriomethyl)-2-pyridinyl]dibenzothiophen-4-yl]silane.

Molecular Properties

Compound Nametrimethyl-[6-[5-(trideuteriomethyl)-2-pyridinyl]dibenzothiophen-4-yl]silane
PubChem CID155608293
Molecular FormulaC21H21NSSi
Molecular Weight350.58 g/mol
Exact Mass350.14
IUPAC Nametrimethyl-[6-[5-(trideuteriomethyl)-2-pyridinyl]dibenzothiophen-4-yl]silane
SMILES[2H]C([2H])([2H])c1ccc(-c2cccc3c2sc2c([Si](C)(C)C)cccc23)nc1
InChIInChI=1S/C21H21NSSi/c1-14-11-12-18(22-13-14)17-9-5-7-15-16-8-6-10-19(24(2,3)4)21(16)23-20(15)17/h5-13H,1-4H3/i1D3
InChIKeyMIVNKTNLKGJKLV-FIBGUPNXSA-N
XLogP5.97
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.58
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

trimethyl-[6-(5-methyl-2-pyridinyl)dibenzothiophen-1-yl]silane
CID 155608480
2-[7-(trideuteriomethyl)dibenzothiophen-4-yl]pyridine
CID 155612463
[6-(5-cyclopentyl-2-pyridinyl)dibenzothiophen-1-yl]-trimethylsilane
CID 155608489
trimethyl-(3-phenyl-[1]benzothiolo[3,2-c]pyridin-6-yl)silane
CID 166018502
6-(5-methyl-2-pyridinyl)dibenzothiophene-3-carbonitrile
CID 155043464
2-(2,6-dimethylphenyl)-8-[5-(trideuteriomethyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
CID 168828023
trimethyl-[6-(3-trimethylgermylnaphtho[1,2-b][1]benzothiol-10-yl)-3-pyridinyl]silane
CID 164832399
3-[6-(6,8-dimethylisoquinolin-3-yl)dibenzothiophen-4-yl]-6,8-dimethylisoquinoline
CID 171419630
tetrakis(iridium);tetrakis(2-phenyl-5-propan-2-ylpyridine);trimethyl-[4-(5-methyl-2-pyridinyl)-3H-dibenzothiophen-3-id-1-yl]silane;trimethyl-[6-(5-methyl-2-pyridinyl)-7H-dibenzothiophen-7-id-1-yl]silane;trimethyl-[6-(5-methyl-2-pyridinyl)-7H-dibenzothiophen-7-id-2-yl]silane;trimethyl-[6-[5-(trideuteriomethyl)-2-pyridinyl]-7H-dibenzothiophen-7-id-4-yl]silane
CID 159777879
4-(1,1-dideuterio-2-methylpropyl)-2-[6-(trideuteriomethyl)-7-[4-(trideuteriomethyl)phenyl]dibenzothiophen-4-yl]pyridine
CID 166574090
5-methyl-2-naphthalen-1-ylpyridine
CID 59742245
8-[5-[6-(4-methylphenyl)naphthalen-2-yl]-2-pyridinyl]-[1]benzothiolo[2,3-b]pyridine
CID 170293421

Frequently Asked Questions

What is the IUPAC name of trimethyl-[6-[5-(trideuteriomethyl)-2-pyridinyl]dibenzothiophen-4-yl]silane?
The IUPAC name of trimethyl-[6-[5-(trideuteriomethyl)-2-pyridinyl]dibenzothiophen-4-yl]silane (CID 155608293) is trimethyl-[6-[5-(trideuteriomethyl)-2-pyridinyl]dibenzothiophen-4-yl]silane.
What is the SMILES notation for trimethyl-[6-[5-(trideuteriomethyl)-2-pyridinyl]dibenzothiophen-4-yl]silane?
The canonical SMILES for trimethyl-[6-[5-(trideuteriomethyl)-2-pyridinyl]dibenzothiophen-4-yl]silane is [2H]C([2H])([2H])c1ccc(-c2cccc3c2sc2c([Si](C)(C)C)cccc23)nc1.
What is the InChIKey of trimethyl-[6-[5-(trideuteriomethyl)-2-pyridinyl]dibenzothiophen-4-yl]silane?
The InChIKey is MIVNKTNLKGJKLV-FIBGUPNXSA-N. The full InChI is InChI=1S/C21H21NSSi/c1-14-11-12-18(22-13-14)17-9-5-7-15-16-8-6-10-19(24(2,3)4)21(16)23-20(15)17/h5-13H,1-4H3/i1D3.
What are the key properties of trimethyl-[6-[5-(trideuteriomethyl)-2-pyridinyl]dibenzothiophen-4-yl]silane?
trimethyl-[6-[5-(trideuteriomethyl)-2-pyridinyl]dibenzothiophen-4-yl]silane has a molecular weight of 350.58 g/mol, XLogP of 5.97, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[6-[5-(trideuteriomethyl)-2-pyridinyl]dibenzothiophen-4-yl]silane is sourced from PubChem (CID 155608293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).