[4-(5-cyclopropyl-2-pyridinyl)dibenzothiophen-1-yl]-trimethylsilane

C23H23NSSi — CID 155608391

IUPAC[4-(5-cyclopropyl-2-pyridinyl)dibenzothiophen-1-yl]-trimethylsilane
SMILESC[Si](C)(C)c1ccc(-c2ccc(C3CC3)cn2)c2sc3ccccc3c12
InChIInChI=1S/C23H23NSSi/c1-26(2,3)21-13-11-17(19-12-10-16(14-24-19)15-8-9-15)23-22(21)18-6-4-5-7-20(18)25-23/h4-7,10-15H,8-9H2,1-3H3
InChIKeyNFAXEMYXIRNYEN-UHFFFAOYSA-N
MW373.60 g/mol
LogP6.54
Rot. Bonds3

About [4-(5-cyclopropyl-2-pyridinyl)dibenzothiophen-1-yl]-trimethylsilane

[4-(5-cyclopropyl-2-pyridinyl)dibenzothiophen-1-yl]-trimethylsilane (PubChem CID 155608391) has the molecular formula C23H23NSSi and a molecular weight of 373.60 g/mol. Its IUPAC name is [4-(5-cyclopropyl-2-pyridinyl)dibenzothiophen-1-yl]-trimethylsilane.

Molecular Properties

Compound Name[4-(5-cyclopropyl-2-pyridinyl)dibenzothiophen-1-yl]-trimethylsilane
PubChem CID155608391
Molecular FormulaC23H23NSSi
Molecular Weight373.60 g/mol
Exact Mass373.13
IUPAC Name[4-(5-cyclopropyl-2-pyridinyl)dibenzothiophen-1-yl]-trimethylsilane
SMILESC[Si](C)(C)c1ccc(-c2ccc(C3CC3)cn2)c2sc3ccccc3c12
InChIInChI=1S/C23H23NSSi/c1-26(2,3)21-13-11-17(19-12-10-16(14-24-19)15-8-9-15)23-22(21)18-6-4-5-7-20(18)25-23/h4-7,10-15H,8-9H2,1-3H3
InChIKeyNFAXEMYXIRNYEN-UHFFFAOYSA-N
XLogP6.54
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.60
LogP ≤ 56.54
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

[6-(5-cyclopentyl-2-pyridinyl)dibenzothiophen-1-yl]-trimethylsilane
CID 155608489
[4-(4-cyclohexyl-2-pyridinyl)dibenzothiophen-1-yl]-trimethylsilane
CID 155608457
5-cyclohexyl-2-phenylpyridine;iridium;trimethyl-(4-pyridin-2-yl-3H-dibenzothiophen-3-id-1-yl)silane
CID 155608774
trimethyl-[6-(5-methyl-2-pyridinyl)dibenzothiophen-1-yl]silane
CID 155608480
[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
2-(1-cyclopentyldibenzothiophen-4-yl)-3,4-dideuterio-5-(trideuteriomethyl)pyridine
CID 162032399
[6-(5-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-1-yl]-trimethylsilane;iridium;2-phenyl-5-propan-2-ylpyridine
CID 155608896
[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
tetrakis(5-cyclopropyl-2-phenylpyridine);pentakis(iridium);2-phenyl-5-propan-2-ylpyridine;trimethyl-(4-pyridin-2-yl-3H-dibenzothiophen-3-id-1-yl)silane;trimethyl-(6-pyridin-2-yl-7H-dibenzothiophen-7-id-1-yl)silane;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 157084397
[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
4-(2,2-dimethylpropyl)-5-methyl-2-(1-phenyldibenzothiophen-4-yl)pyridine
CID 166573430

Frequently Asked Questions

What is the IUPAC name of [4-(5-cyclopropyl-2-pyridinyl)dibenzothiophen-1-yl]-trimethylsilane?
The IUPAC name of [4-(5-cyclopropyl-2-pyridinyl)dibenzothiophen-1-yl]-trimethylsilane (CID 155608391) is [4-(5-cyclopropyl-2-pyridinyl)dibenzothiophen-1-yl]-trimethylsilane.
What is the SMILES notation for [4-(5-cyclopropyl-2-pyridinyl)dibenzothiophen-1-yl]-trimethylsilane?
The canonical SMILES for [4-(5-cyclopropyl-2-pyridinyl)dibenzothiophen-1-yl]-trimethylsilane is C[Si](C)(C)c1ccc(-c2ccc(C3CC3)cn2)c2sc3ccccc3c12.
What is the InChIKey of [4-(5-cyclopropyl-2-pyridinyl)dibenzothiophen-1-yl]-trimethylsilane?
The InChIKey is NFAXEMYXIRNYEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NSSi/c1-26(2,3)21-13-11-17(19-12-10-16(14-24-19)15-8-9-15)23-22(21)18-6-4-5-7-20(18)25-23/h4-7,10-15H,8-9H2,1-3H3.
What are the key properties of [4-(5-cyclopropyl-2-pyridinyl)dibenzothiophen-1-yl]-trimethylsilane?
[4-(5-cyclopropyl-2-pyridinyl)dibenzothiophen-1-yl]-trimethylsilane has a molecular weight of 373.60 g/mol, XLogP of 6.54, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-cyclopropyl-2-pyridinyl)dibenzothiophen-1-yl]-trimethylsilane is sourced from PubChem (CID 155608391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).