[4-(4-cyclohexyl-2-pyridinyl)dibenzothiophen-1-yl]-trimethylsilane

C26H29NSSi — CID 155608457

IUPAC[4-(4-cyclohexyl-2-pyridinyl)dibenzothiophen-1-yl]-trimethylsilane
SMILESC[Si](C)(C)c1ccc(-c2cc(C3CCCCC3)ccn2)c2sc3ccccc3c12
InChIInChI=1S/C26H29NSSi/c1-29(2,3)24-14-13-20(26-25(24)21-11-7-8-12-23(21)28-26)22-17-19(15-16-27-22)18-9-5-4-6-10-18/h7-8,11-18H,4-6,9-10H2,1-3H3
InChIKeyBTUWFGQNNDMWNQ-UHFFFAOYSA-N
MW415.68 g/mol
LogP7.71
Rot. Bonds3

About [4-(4-cyclohexyl-2-pyridinyl)dibenzothiophen-1-yl]-trimethylsilane

[4-(4-cyclohexyl-2-pyridinyl)dibenzothiophen-1-yl]-trimethylsilane (PubChem CID 155608457) has the molecular formula C26H29NSSi and a molecular weight of 415.68 g/mol. Its IUPAC name is [4-(4-cyclohexyl-2-pyridinyl)dibenzothiophen-1-yl]-trimethylsilane.

Molecular Properties

Compound Name[4-(4-cyclohexyl-2-pyridinyl)dibenzothiophen-1-yl]-trimethylsilane
PubChem CID155608457
Molecular FormulaC26H29NSSi
Molecular Weight415.68 g/mol
Exact Mass415.18
IUPAC Name[4-(4-cyclohexyl-2-pyridinyl)dibenzothiophen-1-yl]-trimethylsilane
SMILESC[Si](C)(C)c1ccc(-c2cc(C3CCCCC3)ccn2)c2sc3ccccc3c12
InChIInChI=1S/C26H29NSSi/c1-29(2,3)24-14-13-20(26-25(24)21-11-7-8-12-23(21)28-26)22-17-19(15-16-27-22)18-9-5-4-6-10-18/h7-8,11-18H,4-6,9-10H2,1-3H3
InChIKeyBTUWFGQNNDMWNQ-UHFFFAOYSA-N
XLogP7.71
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.68
LogP ≤ 57.71
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

[4-(5-cyclopropyl-2-pyridinyl)dibenzothiophen-1-yl]-trimethylsilane
CID 155608391
[6-(5-cyclopentyl-2-pyridinyl)dibenzothiophen-1-yl]-trimethylsilane
CID 155608489
4-cyclohexyl-2-(1-phenyl-3H-dibenzothiophen-3-id-4-yl)pyridine;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium
CID 166576831
5-cyclohexyl-2-phenylpyridine;iridium;trimethyl-(4-pyridin-2-yl-3H-dibenzothiophen-3-id-1-yl)silane
CID 155608774
trimethyl-[4-[4-(3,3,5,5-tetramethylcyclohexyl)-2-pyridinyl]dibenzofuran-1-yl]silane
CID 164796927
4-cyclopropyl-2-phenylpyridine;iridium;trimethyl-(6-pyridin-2-yl-7H-dibenzothiophen-7-id-1-yl)silane
CID 155608653
tris(4-cyclohexyl-2-phenylpyridine);tris(iridium);trimethyl-(6-pyridin-2-yl-7H-dibenzothiophen-7-id-2-yl)silane;trimethyl-(6-pyridin-2-yl-7H-dibenzothiophen-7-id-3-yl)silane;trimethyl-(6-pyridin-2-yl-7H-dibenzothiophen-7-id-4-yl)silane
CID 158093741
4-cyclohexyl-2-(9-naphthalen-1-yl-3H-dibenzothiophen-3-id-4-yl)pyridine;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
CID 169039315
[4-(5-cyclohexyl-2-pyridinyl)-3H-dibenzothiophen-3-id-1-yl]-trimethylsilane;[6-(5-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-1-yl]-trimethylsilane;bis(iridium);bis(2-phenylpyridine)
CID 161010587
4-(4-cyclohexyl-2-pyridinyl)-[1]benzofuro[3,2-c]pyridine
CID 155612348
[6-(4-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-1-yl]-trimethylsilane;[6-(4-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-2-yl]-trimethylsilane;[6-(4-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-3-yl]-trimethylsilane;[6-(4-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-4-yl]-trimethylsilane;[4-(4-cyclopropyl-2-pyridinyl)-3H-dibenzothiophen-3-id-1-yl]-trimethylsilane;pentakis(iridium);pentakis(2-phenyl-5-(trideuteriomethyl)pyridine)
CID 162201721
2-(1-cyclopentyldibenzothiophen-4-yl)-3,4-dideuterio-5-(trideuteriomethyl)pyridine
CID 162032399

Frequently Asked Questions

What is the IUPAC name of [4-(4-cyclohexyl-2-pyridinyl)dibenzothiophen-1-yl]-trimethylsilane?
The IUPAC name of [4-(4-cyclohexyl-2-pyridinyl)dibenzothiophen-1-yl]-trimethylsilane (CID 155608457) is [4-(4-cyclohexyl-2-pyridinyl)dibenzothiophen-1-yl]-trimethylsilane.
What is the SMILES notation for [4-(4-cyclohexyl-2-pyridinyl)dibenzothiophen-1-yl]-trimethylsilane?
The canonical SMILES for [4-(4-cyclohexyl-2-pyridinyl)dibenzothiophen-1-yl]-trimethylsilane is C[Si](C)(C)c1ccc(-c2cc(C3CCCCC3)ccn2)c2sc3ccccc3c12.
What is the InChIKey of [4-(4-cyclohexyl-2-pyridinyl)dibenzothiophen-1-yl]-trimethylsilane?
The InChIKey is BTUWFGQNNDMWNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29NSSi/c1-29(2,3)24-14-13-20(26-25(24)21-11-7-8-12-23(21)28-26)22-17-19(15-16-27-22)18-9-5-4-6-10-18/h7-8,11-18H,4-6,9-10H2,1-3H3.
What are the key properties of [4-(4-cyclohexyl-2-pyridinyl)dibenzothiophen-1-yl]-trimethylsilane?
[4-(4-cyclohexyl-2-pyridinyl)dibenzothiophen-1-yl]-trimethylsilane has a molecular weight of 415.68 g/mol, XLogP of 7.71, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-cyclohexyl-2-pyridinyl)dibenzothiophen-1-yl]-trimethylsilane is sourced from PubChem (CID 155608457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).