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

C34H39NSSi — CID 163651391

IUPAC[4-[7-(4-tert-butylnaphthalen-2-yl)-3-methylthieno[2,3-c]pyridin-2-yl]phenyl]-triethylsilane
SMILESCC[Si](CC)(CC)c1ccc(-c2sc3c(-c4cc(C(C)(C)C)c5ccccc5c4)nccc3c2C)cc1
InChIInChI=1S/C34H39NSSi/c1-8-37(9-2,10-3)27-17-15-24(16-18-27)32-23(4)28-19-20-35-31(33(28)36-32)26-21-25-13-11-12-14-29(25)30(22-26)34(5,6)7/h11-22H,8-10H2,1-7H3
InChIKeyJGZKLGDKYZGDMN-UHFFFAOYSA-N
MW521.85 g/mol
LogP10.10
Rot. Bonds6

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

[4-[7-(4-tert-butylnaphthalen-2-yl)-3-methylthieno[2,3-c]pyridin-2-yl]phenyl]-triethylsilane (PubChem CID 163651391) has the molecular formula C34H39NSSi and a molecular weight of 521.85 g/mol. Its IUPAC name is [4-[7-(4-tert-butylnaphthalen-2-yl)-3-methylthieno[2,3-c]pyridin-2-yl]phenyl]-triethylsilane.

Molecular Properties

Compound Name[4-[7-(4-tert-butylnaphthalen-2-yl)-3-methylthieno[2,3-c]pyridin-2-yl]phenyl]-triethylsilane
PubChem CID163651391
Molecular FormulaC34H39NSSi
Molecular Weight521.85 g/mol
Exact Mass521.26
IUPAC Name[4-[7-(4-tert-butylnaphthalen-2-yl)-3-methylthieno[2,3-c]pyridin-2-yl]phenyl]-triethylsilane
SMILESCC[Si](CC)(CC)c1ccc(-c2sc3c(-c4cc(C(C)(C)C)c5ccccc5c4)nccc3c2C)cc1
InChIInChI=1S/C34H39NSSi/c1-8-37(9-2,10-3)27-17-15-24(16-18-27)32-23(4)28-19-20-35-31(33(28)36-32)26-21-25-13-11-12-14-29(25)30(22-26)34(5,6)7/h11-22H,8-10H2,1-7H3
InChIKeyJGZKLGDKYZGDMN-UHFFFAOYSA-N
XLogP10.10
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.85
LogP ≤ 510.10
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]-ethyl-diphenylsilane
CID 170660272
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-[3,4-dimethyl-5-[4-(2-methylpropyl)phenyl]thiophen-2-yl]-3-methylthieno[2,3-c]pyridine
CID 163863699
7-(4-tert-butylnaphthalen-2-yl)-2,3-dimethylthieno[2,3-c]pyridine
CID 168852963
[7-(4-tert-butylnaphthalen-2-yl)-3-methylthieno[2,3-c]pyridin-2-yl]-methyl-diphenylsilane
CID 170566810
[7-(4-tert-butylnaphthalen-2-yl)-3-methylthieno[2,3-c]pyridin-2-yl]-triphenylsilane
CID 170566811
7-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-(10-methylfluoranthen-8-yl)thieno[2,3-c]pyridine
CID 171578743
1-(4-tert-butylnaphthalen-2-yl)-8-(trifluoromethyl)-[1]benzothiolo[2,3-c]pyridine
CID 168852879
7-(4-tert-butylnaphthalen-2-yl)-5-deuterio-3-methyl-2-[4-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]phenyl]thieno[2,3-c]pyridine
CID 164932068
7-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-[3-methyl-2-(2-methylpropyl)-1-benzothiophen-7-yl]thieno[2,3-c]pyridine
CID 171718311
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-methyl-2-(3-methyl-1-benzofuran-7-yl)thieno[2,3-c]pyridine
CID 171717724

Frequently Asked Questions

What is the IUPAC name of [4-[7-(4-tert-butylnaphthalen-2-yl)-3-methylthieno[2,3-c]pyridin-2-yl]phenyl]-triethylsilane?
The IUPAC name of [4-[7-(4-tert-butylnaphthalen-2-yl)-3-methylthieno[2,3-c]pyridin-2-yl]phenyl]-triethylsilane (CID 163651391) is [4-[7-(4-tert-butylnaphthalen-2-yl)-3-methylthieno[2,3-c]pyridin-2-yl]phenyl]-triethylsilane.
What is the SMILES notation for [4-[7-(4-tert-butylnaphthalen-2-yl)-3-methylthieno[2,3-c]pyridin-2-yl]phenyl]-triethylsilane?
The canonical SMILES for [4-[7-(4-tert-butylnaphthalen-2-yl)-3-methylthieno[2,3-c]pyridin-2-yl]phenyl]-triethylsilane is CC[Si](CC)(CC)c1ccc(-c2sc3c(-c4cc(C(C)(C)C)c5ccccc5c4)nccc3c2C)cc1.
What is the InChIKey of [4-[7-(4-tert-butylnaphthalen-2-yl)-3-methylthieno[2,3-c]pyridin-2-yl]phenyl]-triethylsilane?
The InChIKey is JGZKLGDKYZGDMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H39NSSi/c1-8-37(9-2,10-3)27-17-15-24(16-18-27)32-23(4)28-19-20-35-31(33(28)36-32)26-21-25-13-11-12-14-29(25)30(22-26)34(5,6)7/h11-22H,8-10H2,1-7H3.
What are the key properties of [4-[7-(4-tert-butylnaphthalen-2-yl)-3-methylthieno[2,3-c]pyridin-2-yl]phenyl]-triethylsilane?
[4-[7-(4-tert-butylnaphthalen-2-yl)-3-methylthieno[2,3-c]pyridin-2-yl]phenyl]-triethylsilane has a molecular weight of 521.85 g/mol, XLogP of 10.10, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[7-(4-tert-butylnaphthalen-2-yl)-3-methylthieno[2,3-c]pyridin-2-yl]phenyl]-triethylsilane is sourced from PubChem (CID 163651391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).