[difluoro-[1-(4-propan-2-ylnaphthalen-2-yl)-[1]benzothiolo[2,3-c]pyridin-8-yl]methyl]-trimethylsilane

C28H27F2NSSi — CID 170533908

IUPAC[difluoro-[1-(4-propan-2-ylnaphthalen-2-yl)-[1]benzothiolo[2,3-c]pyridin-8-yl]methyl]-trimethylsilane
SMILESCC(C)c1cc(-c2nccc3c2sc2c(C(F)(F)[Si](C)(C)C)cccc23)cc2ccccc12
InChIInChI=1S/C28H27F2NSSi/c1-17(2)23-16-19(15-18-9-6-7-10-20(18)23)25-27-22(13-14-31-25)21-11-8-12-24(26(21)32-27)28(29,30)33(3,4)5/h6-17H,1-5H3
InChIKeyVQCWFOMQEPDQSZ-UHFFFAOYSA-N
MW475.68 g/mol
LogP9.36
Rot. Bonds4

About [difluoro-[1-(4-propan-2-ylnaphthalen-2-yl)-[1]benzothiolo[2,3-c]pyridin-8-yl]methyl]-trimethylsilane

[difluoro-[1-(4-propan-2-ylnaphthalen-2-yl)-[1]benzothiolo[2,3-c]pyridin-8-yl]methyl]-trimethylsilane (PubChem CID 170533908) has the molecular formula C28H27F2NSSi and a molecular weight of 475.68 g/mol. Its IUPAC name is [difluoro-[1-(4-propan-2-ylnaphthalen-2-yl)-[1]benzothiolo[2,3-c]pyridin-8-yl]methyl]-trimethylsilane.

Molecular Properties

Compound Name[difluoro-[1-(4-propan-2-ylnaphthalen-2-yl)-[1]benzothiolo[2,3-c]pyridin-8-yl]methyl]-trimethylsilane
PubChem CID170533908
Molecular FormulaC28H27F2NSSi
Molecular Weight475.68 g/mol
Exact Mass475.16
IUPAC Name[difluoro-[1-(4-propan-2-ylnaphthalen-2-yl)-[1]benzothiolo[2,3-c]pyridin-8-yl]methyl]-trimethylsilane
SMILESCC(C)c1cc(-c2nccc3c2sc2c(C(F)(F)[Si](C)(C)C)cccc23)cc2ccccc12
InChIInChI=1S/C28H27F2NSSi/c1-17(2)23-16-19(15-18-9-6-7-10-20(18)23)25-27-22(13-14-31-25)21-11-8-12-24(26(21)32-27)28(29,30)33(3,4)5/h6-17H,1-5H3
InChIKeyVQCWFOMQEPDQSZ-UHFFFAOYSA-N
XLogP9.36
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.68
LogP ≤ 59.36
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-[1-(4-propan-2-ylnaphthalen-2-yl)-[1]benzothiolo[2,3-c]pyridin-7-yl]silane
CID 166018657
trimethyl-[7-methyl-1-(4-propan-2-ylnaphthalen-2-yl)-[1]benzothiolo[2,3-c]pyridin-8-yl]silane
CID 170533921
[3-deuterio-3-fluoro-3-[1-(4-propan-2-ylnaphthalen-2-yl)-[1]benzothiolo[2,3-c]pyridin-8-yl]propyl]-trimethylsilane
CID 170533877
1-(4-tert-butylnaphthalen-2-yl)-8-(trifluoromethyl)-[1]benzothiolo[2,3-c]pyridine
CID 168852879
1-(4-tert-butylnaphthalen-2-yl)-8-(3-methylpentan-3-yl)-[1]benzothiolo[2,3-c]pyridine
CID 154599505
2-[4-(2,2-dimethylpropyl)-2,6-dimethylphenyl]-3-propan-2-yl-7-(4-propan-2-ylnaphthalen-2-yl)thieno[2,3-c]pyridine
CID 176835562
2-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)-3-methyl-7-(4-propan-2-ylnaphthalen-2-yl)thieno[2,3-c]pyridine
CID 171578829
trimethyl-[3-[8-(2-methylpropyl)-[1]benzothiolo[2,3-c]pyridin-1-yl]naphthalen-1-yl]silane
CID 170932025
8-methyl-7-phenyl-1-(4-propan-2-ylphenanthren-2-yl)-[1]benzothiolo[2,3-c]pyridine
CID 171460308
1-[4-(3-methylpentan-3-yl)naphthalen-2-yl]-8-(3,3,3-trifluoro-2,2-dimethylpropyl)-[1]benzothiolo[2,3-c]pyridine
CID 154599448
6-(4-tert-butylnaphthalen-2-yl)-14-(2-methylpropyl)-16-oxa-8-thia-5-azatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),2(7),3,5,10,12,14-heptaene
CID 170545618
15-(4-tert-butylnaphthalen-2-yl)-4-(2-methylpropyl)-17-thia-14-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene
CID 154599278

Frequently Asked Questions

What is the IUPAC name of [difluoro-[1-(4-propan-2-ylnaphthalen-2-yl)-[1]benzothiolo[2,3-c]pyridin-8-yl]methyl]-trimethylsilane?
The IUPAC name of [difluoro-[1-(4-propan-2-ylnaphthalen-2-yl)-[1]benzothiolo[2,3-c]pyridin-8-yl]methyl]-trimethylsilane (CID 170533908) is [difluoro-[1-(4-propan-2-ylnaphthalen-2-yl)-[1]benzothiolo[2,3-c]pyridin-8-yl]methyl]-trimethylsilane.
What is the SMILES notation for [difluoro-[1-(4-propan-2-ylnaphthalen-2-yl)-[1]benzothiolo[2,3-c]pyridin-8-yl]methyl]-trimethylsilane?
The canonical SMILES for [difluoro-[1-(4-propan-2-ylnaphthalen-2-yl)-[1]benzothiolo[2,3-c]pyridin-8-yl]methyl]-trimethylsilane is CC(C)c1cc(-c2nccc3c2sc2c(C(F)(F)[Si](C)(C)C)cccc23)cc2ccccc12.
What is the InChIKey of [difluoro-[1-(4-propan-2-ylnaphthalen-2-yl)-[1]benzothiolo[2,3-c]pyridin-8-yl]methyl]-trimethylsilane?
The InChIKey is VQCWFOMQEPDQSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27F2NSSi/c1-17(2)23-16-19(15-18-9-6-7-10-20(18)23)25-27-22(13-14-31-25)21-11-8-12-24(26(21)32-27)28(29,30)33(3,4)5/h6-17H,1-5H3.
What are the key properties of [difluoro-[1-(4-propan-2-ylnaphthalen-2-yl)-[1]benzothiolo[2,3-c]pyridin-8-yl]methyl]-trimethylsilane?
[difluoro-[1-(4-propan-2-ylnaphthalen-2-yl)-[1]benzothiolo[2,3-c]pyridin-8-yl]methyl]-trimethylsilane has a molecular weight of 475.68 g/mol, XLogP of 9.36, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [difluoro-[1-(4-propan-2-ylnaphthalen-2-yl)-[1]benzothiolo[2,3-c]pyridin-8-yl]methyl]-trimethylsilane is sourced from PubChem (CID 170533908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).