[7-(4-tert-butylnaphthalen-2-yl)-3-methylthieno[2,3-c]pyridin-2-yl]-cyclohexyl-di(pentan-3-yl)silane

C38H53NSSi — CID 170660437

IUPAC[7-(4-tert-butylnaphthalen-2-yl)-3-methylthieno[2,3-c]pyridin-2-yl]-cyclohexyl-di(pentan-3-yl)silane
SMILESCCC(CC)[Si](c1sc2c(-c3cc(C(C)(C)C)c4ccccc4c3)nccc2c1C)(C(CC)CC)C1CCCCC1
InChIInChI=1S/C38H53NSSi/c1-9-29(10-2)41(30(11-3)12-4,31-19-14-13-15-20-31)37-26(5)32-22-23-39-35(36(32)40-37)28-24-27-18-16-17-21-33(27)34(25-28)38(6,7)8/h16-18,21-25,29-31H,9-15,19-20H2,1-8H3
InChIKeySOSMHIFDSPJFBO-UHFFFAOYSA-N
MW584.00 g/mol
LogP12.09
Rot. Bonds9

About [7-(4-tert-butylnaphthalen-2-yl)-3-methylthieno[2,3-c]pyridin-2-yl]-cyclohexyl-di(pentan-3-yl)silane

[7-(4-tert-butylnaphthalen-2-yl)-3-methylthieno[2,3-c]pyridin-2-yl]-cyclohexyl-di(pentan-3-yl)silane (PubChem CID 170660437) has the molecular formula C38H53NSSi and a molecular weight of 584.00 g/mol. Its IUPAC name is [7-(4-tert-butylnaphthalen-2-yl)-3-methylthieno[2,3-c]pyridin-2-yl]-cyclohexyl-di(pentan-3-yl)silane.

Molecular Properties

Compound Name[7-(4-tert-butylnaphthalen-2-yl)-3-methylthieno[2,3-c]pyridin-2-yl]-cyclohexyl-di(pentan-3-yl)silane
PubChem CID170660437
Molecular FormulaC38H53NSSi
Molecular Weight584.00 g/mol
Exact Mass583.37
IUPAC Name[7-(4-tert-butylnaphthalen-2-yl)-3-methylthieno[2,3-c]pyridin-2-yl]-cyclohexyl-di(pentan-3-yl)silane
SMILESCCC(CC)[Si](c1sc2c(-c3cc(C(C)(C)C)c4ccccc4c3)nccc2c1C)(C(CC)CC)C1CCCCC1
InChIInChI=1S/C38H53NSSi/c1-9-29(10-2)41(30(11-3)12-4,31-19-14-13-15-20-31)37-26(5)32-22-23-39-35(36(32)40-37)28-24-27-18-16-17-21-33(27)34(25-28)38(6,7)8/h16-18,21-25,29-31H,9-15,19-20H2,1-8H3
InChIKeySOSMHIFDSPJFBO-UHFFFAOYSA-N
XLogP12.09
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.00
LogP ≤ 512.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [7-(4-tert-butylnaphthalen-2-yl)-3-methylthieno[2,3-c]pyridin-2-yl]-cyclohexyl-di(pentan-3-yl)silane?
The IUPAC name of [7-(4-tert-butylnaphthalen-2-yl)-3-methylthieno[2,3-c]pyridin-2-yl]-cyclohexyl-di(pentan-3-yl)silane (CID 170660437) is [7-(4-tert-butylnaphthalen-2-yl)-3-methylthieno[2,3-c]pyridin-2-yl]-cyclohexyl-di(pentan-3-yl)silane.
What is the SMILES notation for [7-(4-tert-butylnaphthalen-2-yl)-3-methylthieno[2,3-c]pyridin-2-yl]-cyclohexyl-di(pentan-3-yl)silane?
The canonical SMILES for [7-(4-tert-butylnaphthalen-2-yl)-3-methylthieno[2,3-c]pyridin-2-yl]-cyclohexyl-di(pentan-3-yl)silane is CCC(CC)[Si](c1sc2c(-c3cc(C(C)(C)C)c4ccccc4c3)nccc2c1C)(C(CC)CC)C1CCCCC1.
What is the InChIKey of [7-(4-tert-butylnaphthalen-2-yl)-3-methylthieno[2,3-c]pyridin-2-yl]-cyclohexyl-di(pentan-3-yl)silane?
The InChIKey is SOSMHIFDSPJFBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H53NSSi/c1-9-29(10-2)41(30(11-3)12-4,31-19-14-13-15-20-31)37-26(5)32-22-23-39-35(36(32)40-37)28-24-27-18-16-17-21-33(27)34(25-28)38(6,7)8/h16-18,21-25,29-31H,9-15,19-20H2,1-8H3.
What are the key properties of [7-(4-tert-butylnaphthalen-2-yl)-3-methylthieno[2,3-c]pyridin-2-yl]-cyclohexyl-di(pentan-3-yl)silane?
[7-(4-tert-butylnaphthalen-2-yl)-3-methylthieno[2,3-c]pyridin-2-yl]-cyclohexyl-di(pentan-3-yl)silane has a molecular weight of 584.00 g/mol, XLogP of 12.09, 9 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]-cyclohexyl-di(pentan-3-yl)silane is sourced from PubChem (CID 170660437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).