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

C40H35NSSi — CID 170566811

IUPAC[7-(4-tert-butylnaphthalen-2-yl)-3-methylthieno[2,3-c]pyridin-2-yl]-triphenylsilane
SMILESCc1c([Si](c2ccccc2)(c2ccccc2)c2ccccc2)sc2c(-c3cc(C(C)(C)C)c4ccccc4c3)nccc12
InChIInChI=1S/C40H35NSSi/c1-28-34-24-25-41-37(30-26-29-16-14-15-23-35(29)36(27-30)40(2,3)4)38(34)42-39(28)43(31-17-8-5-9-18-31,32-19-10-6-11-20-32)33-21-12-7-13-22-33/h5-27H,1-4H3
InChIKeyRAQQPCATWXZKEO-UHFFFAOYSA-N
MW589.88 g/mol
LogP8.10
Rot. Bonds5

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

[7-(4-tert-butylnaphthalen-2-yl)-3-methylthieno[2,3-c]pyridin-2-yl]-triphenylsilane (PubChem CID 170566811) has the molecular formula C40H35NSSi and a molecular weight of 589.88 g/mol. Its IUPAC name is [7-(4-tert-butylnaphthalen-2-yl)-3-methylthieno[2,3-c]pyridin-2-yl]-triphenylsilane.

Molecular Properties

Compound Name[7-(4-tert-butylnaphthalen-2-yl)-3-methylthieno[2,3-c]pyridin-2-yl]-triphenylsilane
PubChem CID170566811
Molecular FormulaC40H35NSSi
Molecular Weight589.88 g/mol
Exact Mass589.23
IUPAC Name[7-(4-tert-butylnaphthalen-2-yl)-3-methylthieno[2,3-c]pyridin-2-yl]-triphenylsilane
SMILESCc1c([Si](c2ccccc2)(c2ccccc2)c2ccccc2)sc2c(-c3cc(C(C)(C)C)c4ccccc4c3)nccc12
InChIInChI=1S/C40H35NSSi/c1-28-34-24-25-41-37(30-26-29-16-14-15-23-35(29)36(27-30)40(2,3)4)38(34)42-39(28)43(31-17-8-5-9-18-31,32-19-10-6-11-20-32)33-21-12-7-13-22-33/h5-27H,1-4H3
InChIKeyRAQQPCATWXZKEO-UHFFFAOYSA-N
XLogP8.10
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.88
LogP ≤ 58.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', '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]-triphenylsilane?
The IUPAC name of [7-(4-tert-butylnaphthalen-2-yl)-3-methylthieno[2,3-c]pyridin-2-yl]-triphenylsilane (CID 170566811) is [7-(4-tert-butylnaphthalen-2-yl)-3-methylthieno[2,3-c]pyridin-2-yl]-triphenylsilane.
What is the SMILES notation for [7-(4-tert-butylnaphthalen-2-yl)-3-methylthieno[2,3-c]pyridin-2-yl]-triphenylsilane?
The canonical SMILES for [7-(4-tert-butylnaphthalen-2-yl)-3-methylthieno[2,3-c]pyridin-2-yl]-triphenylsilane is Cc1c([Si](c2ccccc2)(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]-triphenylsilane?
The InChIKey is RAQQPCATWXZKEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H35NSSi/c1-28-34-24-25-41-37(30-26-29-16-14-15-23-35(29)36(27-30)40(2,3)4)38(34)42-39(28)43(31-17-8-5-9-18-31,32-19-10-6-11-20-32)33-21-12-7-13-22-33/h5-27H,1-4H3.
What are the key properties of [7-(4-tert-butylnaphthalen-2-yl)-3-methylthieno[2,3-c]pyridin-2-yl]-triphenylsilane?
[7-(4-tert-butylnaphthalen-2-yl)-3-methylthieno[2,3-c]pyridin-2-yl]-triphenylsilane has a molecular weight of 589.88 g/mol, XLogP of 8.10, 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]-triphenylsilane is sourced from PubChem (CID 170566811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).