trimethyl-[1-(4-propan-2-ylnaphthalen-2-yl)-[1]benzothiolo[2,3-c]pyridin-7-yl]silane

C27H27NSSi — CID 166018657

IUPACtrimethyl-[1-(4-propan-2-ylnaphthalen-2-yl)-[1]benzothiolo[2,3-c]pyridin-7-yl]silane
SMILESCC(C)c1cc(-c2nccc3c2sc2cc([Si](C)(C)C)ccc23)cc2ccccc12
InChIInChI=1S/C27H27NSSi/c1-17(2)24-15-19(14-18-8-6-7-9-21(18)24)26-27-23(12-13-28-26)22-11-10-20(30(3,4)5)16-25(22)29-27/h6-17H,1-5H3
InChIKeyYCVHUAROCJOQDO-UHFFFAOYSA-N
MW425.67 g/mol
LogP7.94
Rot. Bonds3

About trimethyl-[1-(4-propan-2-ylnaphthalen-2-yl)-[1]benzothiolo[2,3-c]pyridin-7-yl]silane

trimethyl-[1-(4-propan-2-ylnaphthalen-2-yl)-[1]benzothiolo[2,3-c]pyridin-7-yl]silane (PubChem CID 166018657) has the molecular formula C27H27NSSi and a molecular weight of 425.67 g/mol. Its IUPAC name is trimethyl-[1-(4-propan-2-ylnaphthalen-2-yl)-[1]benzothiolo[2,3-c]pyridin-7-yl]silane.

Molecular Properties

Compound Nametrimethyl-[1-(4-propan-2-ylnaphthalen-2-yl)-[1]benzothiolo[2,3-c]pyridin-7-yl]silane
PubChem CID166018657
Molecular FormulaC27H27NSSi
Molecular Weight425.67 g/mol
Exact Mass425.16
IUPAC Nametrimethyl-[1-(4-propan-2-ylnaphthalen-2-yl)-[1]benzothiolo[2,3-c]pyridin-7-yl]silane
SMILESCC(C)c1cc(-c2nccc3c2sc2cc([Si](C)(C)C)ccc23)cc2ccccc12
InChIInChI=1S/C27H27NSSi/c1-17(2)24-15-19(14-18-8-6-7-9-21(18)24)26-27-23(12-13-28-26)22-11-10-20(30(3,4)5)16-25(22)29-27/h6-17H,1-5H3
InChIKeyYCVHUAROCJOQDO-UHFFFAOYSA-N
XLogP7.94
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.67
LogP ≤ 57.94
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-[7-methyl-1-(4-propan-2-ylnaphthalen-2-yl)-[1]benzothiolo[2,3-c]pyridin-8-yl]silane
CID 170533921
[difluoro-[1-(4-propan-2-ylnaphthalen-2-yl)-[1]benzothiolo[2,3-c]pyridin-8-yl]methyl]-trimethylsilane
CID 170533908
[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-(1-propan-2-yl-[1]benzothiolo[2,3-b][1]benzothiol-3-yl)-[1]benzothiolo[2,3-c]pyridine
CID 170543824
1-(4-tert-butylnaphthalen-2-yl)-7-methyl-[1]benzothiolo[2,3-c]pyridine
CID 168852902
1-naphthalen-2-yl-[1]benzothiolo[2,3-c]pyridine
CID 176651602
1-(4-tert-butylnaphthalen-2-yl)-7-[2,6-dimethyl-4-(2-methylpropyl)heptan-4-yl]-[1]benzothiolo[2,3-c]pyridine
CID 172542880
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
8-methyl-7-phenyl-1-(4-propan-2-ylphenanthren-2-yl)-[1]benzothiolo[2,3-c]pyridine
CID 171460308
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
trimethyl-[3-[8-(2-methylpropyl)-[1]benzothiolo[2,3-c]pyridin-1-yl]naphthalen-1-yl]silane
CID 170932025
3-methyl-7-(7-methyl-4-propan-2-ylnaphthalen-2-yl)-2-[2,4,6-tri(propan-2-yl)phenyl]thieno[2,3-c]pyridine
CID 170097551

Frequently Asked Questions

What is the IUPAC name of trimethyl-[1-(4-propan-2-ylnaphthalen-2-yl)-[1]benzothiolo[2,3-c]pyridin-7-yl]silane?
The IUPAC name of trimethyl-[1-(4-propan-2-ylnaphthalen-2-yl)-[1]benzothiolo[2,3-c]pyridin-7-yl]silane (CID 166018657) is trimethyl-[1-(4-propan-2-ylnaphthalen-2-yl)-[1]benzothiolo[2,3-c]pyridin-7-yl]silane.
What is the SMILES notation for trimethyl-[1-(4-propan-2-ylnaphthalen-2-yl)-[1]benzothiolo[2,3-c]pyridin-7-yl]silane?
The canonical SMILES for trimethyl-[1-(4-propan-2-ylnaphthalen-2-yl)-[1]benzothiolo[2,3-c]pyridin-7-yl]silane is CC(C)c1cc(-c2nccc3c2sc2cc([Si](C)(C)C)ccc23)cc2ccccc12.
What is the InChIKey of trimethyl-[1-(4-propan-2-ylnaphthalen-2-yl)-[1]benzothiolo[2,3-c]pyridin-7-yl]silane?
The InChIKey is YCVHUAROCJOQDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27NSSi/c1-17(2)24-15-19(14-18-8-6-7-9-21(18)24)26-27-23(12-13-28-26)22-11-10-20(30(3,4)5)16-25(22)29-27/h6-17H,1-5H3.
What are the key properties of trimethyl-[1-(4-propan-2-ylnaphthalen-2-yl)-[1]benzothiolo[2,3-c]pyridin-7-yl]silane?
trimethyl-[1-(4-propan-2-ylnaphthalen-2-yl)-[1]benzothiolo[2,3-c]pyridin-7-yl]silane has a molecular weight of 425.67 g/mol, XLogP of 7.94, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[1-(4-propan-2-ylnaphthalen-2-yl)-[1]benzothiolo[2,3-c]pyridin-7-yl]silane is sourced from PubChem (CID 166018657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).