[7-(4-tert-butylnaphthalen-2-yl)-3-methylthieno[2,3-c]pyridin-2-yl]-methyl-diphenylsilane

C35H33NSSi — CID 170566810

IUPAC[7-(4-tert-butylnaphthalen-2-yl)-3-methylthieno[2,3-c]pyridin-2-yl]-methyl-diphenylsilane
SMILESCc1c([Si](C)(c2ccccc2)c2ccccc2)sc2c(-c3cc(C(C)(C)C)c4ccccc4c3)nccc12
InChIInChI=1S/C35H33NSSi/c1-24-29-20-21-36-32(26-22-25-14-12-13-19-30(25)31(23-26)35(2,3)4)33(29)37-34(24)38(5,27-15-8-6-9-16-27)28-17-10-7-11-18-28/h6-23H,1-5H3
InChIKeyXSLHLASGYWCPRL-UHFFFAOYSA-N
MW527.81 g/mol
LogP7.82
Rot. Bonds4

About [7-(4-tert-butylnaphthalen-2-yl)-3-methylthieno[2,3-c]pyridin-2-yl]-methyl-diphenylsilane

[7-(4-tert-butylnaphthalen-2-yl)-3-methylthieno[2,3-c]pyridin-2-yl]-methyl-diphenylsilane (PubChem CID 170566810) has the molecular formula C35H33NSSi and a molecular weight of 527.81 g/mol. Its IUPAC name is [7-(4-tert-butylnaphthalen-2-yl)-3-methylthieno[2,3-c]pyridin-2-yl]-methyl-diphenylsilane.

Molecular Properties

Compound Name[7-(4-tert-butylnaphthalen-2-yl)-3-methylthieno[2,3-c]pyridin-2-yl]-methyl-diphenylsilane
PubChem CID170566810
Molecular FormulaC35H33NSSi
Molecular Weight527.81 g/mol
Exact Mass527.21
IUPAC Name[7-(4-tert-butylnaphthalen-2-yl)-3-methylthieno[2,3-c]pyridin-2-yl]-methyl-diphenylsilane
SMILESCc1c([Si](C)(c2ccccc2)c2ccccc2)sc2c(-c3cc(C(C)(C)C)c4ccccc4c3)nccc12
InChIInChI=1S/C35H33NSSi/c1-24-29-20-21-36-32(26-22-25-14-12-13-19-30(25)31(23-26)35(2,3)4)33(29)37-34(24)38(5,27-15-8-6-9-16-27)28-17-10-7-11-18-28/h6-23H,1-5H3
InChIKeyXSLHLASGYWCPRL-UHFFFAOYSA-N
XLogP7.82
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.81
LogP ≤ 57.82
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

[7-(4-tert-butylnaphthalen-2-yl)-3-methylthieno[2,3-c]pyridin-2-yl]-triphenylsilane
CID 170566811
[7-(4-tert-butylnaphthalen-2-yl)-3-methylthieno[2,3-c]pyridin-2-yl]-ethyl-diphenylsilane
CID 170660272
7-(4-tert-butylnaphthalen-2-yl)-2,3-dimethylthieno[2,3-c]pyridine
CID 168852963
7-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-(3-methyl-1-benzothiophen-2-yl)thieno[2,3-c]pyridine
CID 165172664
7-(4-tert-butylnaphthalen-2-yl)-2-(2,4-dimethyl-3-propan-2-ylpentan-3-yl)-3-methylthieno[2,3-c]pyridine
CID 172542957
[7-(4-tert-butylnaphthalen-2-yl)-3-methylthieno[2,3-c]pyridin-2-yl]-cyclohexyl-di(propan-2-yl)silane
CID 170660435
[4-[7-(4-tert-butylnaphthalen-2-yl)-3-methylthieno[2,3-c]pyridin-2-yl]phenyl]-triethylsilane
CID 163651391
1-(4-tert-butylnaphthalen-2-yl)-7-methyl-[1]benzothiolo[2,3-c]pyridine
CID 168852902
[7-(4-tert-butylnaphthalen-2-yl)-3-methylthieno[2,3-c]pyridin-2-yl]-cyclohexyl-di(pentan-3-yl)silane
CID 170660437
1-(4-tert-butylnaphthalen-2-yl)-8-(trifluoromethyl)-[1]benzothiolo[2,3-c]pyridine
CID 168852879
7-(4-tert-butylnaphthalen-2-yl)-3-pyridin-4-ylthieno[2,3-c]pyridine
CID 171581583
7-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-(2-methyl-1-benzofuran-4-yl)thieno[2,3-c]pyridine
CID 171718617

Frequently Asked Questions

What is the IUPAC name of [7-(4-tert-butylnaphthalen-2-yl)-3-methylthieno[2,3-c]pyridin-2-yl]-methyl-diphenylsilane?
The IUPAC name of [7-(4-tert-butylnaphthalen-2-yl)-3-methylthieno[2,3-c]pyridin-2-yl]-methyl-diphenylsilane (CID 170566810) is [7-(4-tert-butylnaphthalen-2-yl)-3-methylthieno[2,3-c]pyridin-2-yl]-methyl-diphenylsilane.
What is the SMILES notation for [7-(4-tert-butylnaphthalen-2-yl)-3-methylthieno[2,3-c]pyridin-2-yl]-methyl-diphenylsilane?
The canonical SMILES for [7-(4-tert-butylnaphthalen-2-yl)-3-methylthieno[2,3-c]pyridin-2-yl]-methyl-diphenylsilane is Cc1c([Si](C)(c2ccccc2)c2ccccc2)sc2c(-c3cc(C(C)(C)C)c4ccccc4c3)nccc12.
What is the InChIKey of [7-(4-tert-butylnaphthalen-2-yl)-3-methylthieno[2,3-c]pyridin-2-yl]-methyl-diphenylsilane?
The InChIKey is XSLHLASGYWCPRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H33NSSi/c1-24-29-20-21-36-32(26-22-25-14-12-13-19-30(25)31(23-26)35(2,3)4)33(29)37-34(24)38(5,27-15-8-6-9-16-27)28-17-10-7-11-18-28/h6-23H,1-5H3.
What are the key properties of [7-(4-tert-butylnaphthalen-2-yl)-3-methylthieno[2,3-c]pyridin-2-yl]-methyl-diphenylsilane?
[7-(4-tert-butylnaphthalen-2-yl)-3-methylthieno[2,3-c]pyridin-2-yl]-methyl-diphenylsilane has a molecular weight of 527.81 g/mol, XLogP of 7.82, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(4-tert-butylnaphthalen-2-yl)-3-methylthieno[2,3-c]pyridin-2-yl]-methyl-diphenylsilane is sourced from PubChem (CID 170566810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).