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

C36H35NSSi — CID 170660272

IUPAC[7-(4-tert-butylnaphthalen-2-yl)-3-methylthieno[2,3-c]pyridin-2-yl]-ethyl-diphenylsilane
SMILESCC[Si](c1ccccc1)(c1ccccc1)c1sc2c(-c3cc(C(C)(C)C)c4ccccc4c3)nccc2c1C
InChIInChI=1S/C36H35NSSi/c1-6-39(28-16-9-7-10-17-28,29-18-11-8-12-19-29)35-25(2)30-21-22-37-33(34(30)38-35)27-23-26-15-13-14-20-31(26)32(24-27)36(3,4)5/h7-24H,6H2,1-5H3
InChIKeyZEMHKEGGIPGKQN-UHFFFAOYSA-N
MW541.84 g/mol
LogP8.21
Rot. Bonds5

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

[7-(4-tert-butylnaphthalen-2-yl)-3-methylthieno[2,3-c]pyridin-2-yl]-ethyl-diphenylsilane (PubChem CID 170660272) has the molecular formula C36H35NSSi and a molecular weight of 541.84 g/mol. Its IUPAC name is [7-(4-tert-butylnaphthalen-2-yl)-3-methylthieno[2,3-c]pyridin-2-yl]-ethyl-diphenylsilane.

Molecular Properties

Compound Name[7-(4-tert-butylnaphthalen-2-yl)-3-methylthieno[2,3-c]pyridin-2-yl]-ethyl-diphenylsilane
PubChem CID170660272
Molecular FormulaC36H35NSSi
Molecular Weight541.84 g/mol
Exact Mass541.23
IUPAC Name[7-(4-tert-butylnaphthalen-2-yl)-3-methylthieno[2,3-c]pyridin-2-yl]-ethyl-diphenylsilane
SMILESCC[Si](c1ccccc1)(c1ccccc1)c1sc2c(-c3cc(C(C)(C)C)c4ccccc4c3)nccc2c1C
InChIInChI=1S/C36H35NSSi/c1-6-39(28-16-9-7-10-17-28,29-18-11-8-12-19-29)35-25(2)30-21-22-37-33(34(30)38-35)27-23-26-15-13-14-20-31(26)32(24-27)36(3,4)5/h7-24H,6H2,1-5H3
InChIKeyZEMHKEGGIPGKQN-UHFFFAOYSA-N
XLogP8.21
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.84
LogP ≤ 58.21
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]-methyl-diphenylsilane
CID 170566810
7-(4-tert-butylnaphthalen-2-yl)-2,3-dimethylthieno[2,3-c]pyridine
CID 168852963
[4-[7-(4-tert-butylnaphthalen-2-yl)-3-methylthieno[2,3-c]pyridin-2-yl]phenyl]-triethylsilane
CID 163651391
[7-(4-tert-butylnaphthalen-2-yl)-3-methylthieno[2,3-c]pyridin-2-yl]-cyclohexyl-di(pentan-3-yl)silane
CID 170660437
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
1-(4-tert-butylnaphthalen-2-yl)-8-(3-methylpentan-3-yl)-[1]benzothiolo[2,3-c]pyridine
CID 154599505
1-(4-tert-butylnaphthalen-2-yl)-8-(trifluoromethyl)-[1]benzothiolo[2,3-c]pyridine
CID 168852879
1-(4-tert-butylnaphthalen-2-yl)-7-methyl-[1]benzothiolo[2,3-c]pyridine
CID 168852902
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

Frequently Asked Questions

What is the IUPAC name of [7-(4-tert-butylnaphthalen-2-yl)-3-methylthieno[2,3-c]pyridin-2-yl]-ethyl-diphenylsilane?
The IUPAC name of [7-(4-tert-butylnaphthalen-2-yl)-3-methylthieno[2,3-c]pyridin-2-yl]-ethyl-diphenylsilane (CID 170660272) is [7-(4-tert-butylnaphthalen-2-yl)-3-methylthieno[2,3-c]pyridin-2-yl]-ethyl-diphenylsilane.
What is the SMILES notation for [7-(4-tert-butylnaphthalen-2-yl)-3-methylthieno[2,3-c]pyridin-2-yl]-ethyl-diphenylsilane?
The canonical SMILES for [7-(4-tert-butylnaphthalen-2-yl)-3-methylthieno[2,3-c]pyridin-2-yl]-ethyl-diphenylsilane is CC[Si](c1ccccc1)(c1ccccc1)c1sc2c(-c3cc(C(C)(C)C)c4ccccc4c3)nccc2c1C.
What is the InChIKey of [7-(4-tert-butylnaphthalen-2-yl)-3-methylthieno[2,3-c]pyridin-2-yl]-ethyl-diphenylsilane?
The InChIKey is ZEMHKEGGIPGKQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H35NSSi/c1-6-39(28-16-9-7-10-17-28,29-18-11-8-12-19-29)35-25(2)30-21-22-37-33(34(30)38-35)27-23-26-15-13-14-20-31(26)32(24-27)36(3,4)5/h7-24H,6H2,1-5H3.
What are the key properties of [7-(4-tert-butylnaphthalen-2-yl)-3-methylthieno[2,3-c]pyridin-2-yl]-ethyl-diphenylsilane?
[7-(4-tert-butylnaphthalen-2-yl)-3-methylthieno[2,3-c]pyridin-2-yl]-ethyl-diphenylsilane has a molecular weight of 541.84 g/mol, XLogP of 8.21, 5 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]-ethyl-diphenylsilane is sourced from PubChem (CID 170660272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).