[6-(5-cyclopentyl-2-pyridinyl)dibenzothiophen-1-yl]-trimethylsilane

C25H27NSSi — CID 155608489

IUPAC[6-(5-cyclopentyl-2-pyridinyl)dibenzothiophen-1-yl]-trimethylsilane
SMILESC[Si](C)(C)c1cccc2sc3c(-c4ccc(C5CCCC5)cn4)cccc3c12
InChIInChI=1S/C25H27NSSi/c1-28(2,3)23-13-7-12-22-24(23)20-11-6-10-19(25(20)27-22)21-15-14-18(16-26-21)17-8-4-5-9-17/h6-7,10-17H,4-5,8-9H2,1-3H3
InChIKeyQZYFYSIZZIJZRP-UHFFFAOYSA-N
MW401.65 g/mol
LogP7.32
Rot. Bonds3

About [6-(5-cyclopentyl-2-pyridinyl)dibenzothiophen-1-yl]-trimethylsilane

[6-(5-cyclopentyl-2-pyridinyl)dibenzothiophen-1-yl]-trimethylsilane (PubChem CID 155608489) has the molecular formula C25H27NSSi and a molecular weight of 401.65 g/mol. Its IUPAC name is [6-(5-cyclopentyl-2-pyridinyl)dibenzothiophen-1-yl]-trimethylsilane.

Molecular Properties

Compound Name[6-(5-cyclopentyl-2-pyridinyl)dibenzothiophen-1-yl]-trimethylsilane
PubChem CID155608489
Molecular FormulaC25H27NSSi
Molecular Weight401.65 g/mol
Exact Mass401.16
IUPAC Name[6-(5-cyclopentyl-2-pyridinyl)dibenzothiophen-1-yl]-trimethylsilane
SMILESC[Si](C)(C)c1cccc2sc3c(-c4ccc(C5CCCC5)cn4)cccc3c12
InChIInChI=1S/C25H27NSSi/c1-28(2,3)23-13-7-12-22-24(23)20-11-6-10-19(25(20)27-22)21-15-14-18(16-26-21)17-8-4-5-9-17/h6-7,10-17H,4-5,8-9H2,1-3H3
InChIKeyQZYFYSIZZIJZRP-UHFFFAOYSA-N
XLogP7.32
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.65
LogP ≤ 57.32
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
trimethyl-[6-(5-methyl-2-pyridinyl)dibenzothiophen-1-yl]silane
CID 155608480
[6-(5-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-1-yl]-trimethylsilane;iridium;2-phenyl-5-propan-2-ylpyridine
CID 155608896
[4-(4-cyclohexyl-2-pyridinyl)dibenzothiophen-1-yl]-trimethylsilane
CID 155608457
[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
5-cyclohexyl-2-phenylpyridine;iridium;trimethyl-(4-pyridin-2-yl-3H-dibenzothiophen-3-id-1-yl)silane
CID 155608774
[6-(5-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-1-yl]-trimethylsilane;[6-(5-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-2-yl]-trimethylsilane;[6-(5-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-3-yl]-trimethylsilane;[6-(5-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-4-yl]-trimethylsilane;tetrakis(iridium);tetrakis(2-phenyl-5-propan-2-ylpyridine)
CID 158236370
[6-(5-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-3-yl]-trimethylsilane;[6-(5-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-4-yl]-trimethylsilane;[4-(5-cyclopentyl-2-pyridinyl)-3H-dibenzothiophen-3-id-1-yl]-trimethylsilane;[6-(5-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-1-yl]-trimethylsilane;tetrakis(iridium);tetrakis(5-methyl-2-phenylpyridine)
CID 159075922
[4-(5-cyclopentyl-2-pyridinyl)-3H-dibenzothiophen-3-id-1-yl]-trimethylsilane;[6-(5-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-1-yl]-trimethylsilane;[6-(5-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-2-yl]-trimethylsilane;[6-(5-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-3-yl]-trimethylsilane;tetrakis(iridium);tetrakis(2-phenyl-5-propan-2-ylpyridine)
CID 158365952
trimethyl-[6-[5-(trideuteriomethyl)-2-pyridinyl]dibenzothiophen-4-yl]silane
CID 155608293
[6-(5-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-4-yl]-trimethylsilane;iridium;5-methyl-2-phenylpyridine
CID 155608365
2-(1-cyclopentyldibenzothiophen-4-yl)-3,4-dideuterio-5-(trideuteriomethyl)pyridine
CID 162032399

Frequently Asked Questions

What is the IUPAC name of [6-(5-cyclopentyl-2-pyridinyl)dibenzothiophen-1-yl]-trimethylsilane?
The IUPAC name of [6-(5-cyclopentyl-2-pyridinyl)dibenzothiophen-1-yl]-trimethylsilane (CID 155608489) is [6-(5-cyclopentyl-2-pyridinyl)dibenzothiophen-1-yl]-trimethylsilane.
What is the SMILES notation for [6-(5-cyclopentyl-2-pyridinyl)dibenzothiophen-1-yl]-trimethylsilane?
The canonical SMILES for [6-(5-cyclopentyl-2-pyridinyl)dibenzothiophen-1-yl]-trimethylsilane is C[Si](C)(C)c1cccc2sc3c(-c4ccc(C5CCCC5)cn4)cccc3c12.
What is the InChIKey of [6-(5-cyclopentyl-2-pyridinyl)dibenzothiophen-1-yl]-trimethylsilane?
The InChIKey is QZYFYSIZZIJZRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NSSi/c1-28(2,3)23-13-7-12-22-24(23)20-11-6-10-19(25(20)27-22)21-15-14-18(16-26-21)17-8-4-5-9-17/h6-7,10-17H,4-5,8-9H2,1-3H3.
What are the key properties of [6-(5-cyclopentyl-2-pyridinyl)dibenzothiophen-1-yl]-trimethylsilane?
[6-(5-cyclopentyl-2-pyridinyl)dibenzothiophen-1-yl]-trimethylsilane has a molecular weight of 401.65 g/mol, XLogP of 7.32, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(5-cyclopentyl-2-pyridinyl)dibenzothiophen-1-yl]-trimethylsilane is sourced from PubChem (CID 155608489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).