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

C34H45NSSi — CID 170660435

IUPAC[7-(4-tert-butylnaphthalen-2-yl)-3-methylthieno[2,3-c]pyridin-2-yl]-cyclohexyl-di(propan-2-yl)silane
SMILESCc1c([Si](C(C)C)(C(C)C)C2CCCCC2)sc2c(-c3cc(C(C)(C)C)c4ccccc4c3)nccc12
InChIInChI=1S/C34H45NSSi/c1-22(2)37(23(3)4,27-15-10-9-11-16-27)33-24(5)28-18-19-35-31(32(28)36-33)26-20-25-14-12-13-17-29(25)30(21-26)34(6,7)8/h12-14,17-23,27H,9-11,15-16H2,1-8H3
InChIKeyPXZIEGUXABVVHG-UHFFFAOYSA-N
MW527.89 g/mol
LogP10.53
Rot. Bonds5

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

[7-(4-tert-butylnaphthalen-2-yl)-3-methylthieno[2,3-c]pyridin-2-yl]-cyclohexyl-di(propan-2-yl)silane (PubChem CID 170660435) has the molecular formula C34H45NSSi and a molecular weight of 527.89 g/mol. Its IUPAC name is [7-(4-tert-butylnaphthalen-2-yl)-3-methylthieno[2,3-c]pyridin-2-yl]-cyclohexyl-di(propan-2-yl)silane.

Molecular Properties

Compound Name[7-(4-tert-butylnaphthalen-2-yl)-3-methylthieno[2,3-c]pyridin-2-yl]-cyclohexyl-di(propan-2-yl)silane
PubChem CID170660435
Molecular FormulaC34H45NSSi
Molecular Weight527.89 g/mol
Exact Mass527.30
IUPAC Name[7-(4-tert-butylnaphthalen-2-yl)-3-methylthieno[2,3-c]pyridin-2-yl]-cyclohexyl-di(propan-2-yl)silane
SMILESCc1c([Si](C(C)C)(C(C)C)C2CCCCC2)sc2c(-c3cc(C(C)(C)C)c4ccccc4c3)nccc12
InChIInChI=1S/C34H45NSSi/c1-22(2)37(23(3)4,27-15-10-9-11-16-27)33-24(5)28-18-19-35-31(32(28)36-33)26-20-25-14-12-13-17-29(25)30(21-26)34(6,7)8/h12-14,17-23,27H,9-11,15-16H2,1-8H3
InChIKeyPXZIEGUXABVVHG-UHFFFAOYSA-N
XLogP10.53
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.89
LogP ≤ 510.53
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(propan-2-yl)silane?
The IUPAC name of [7-(4-tert-butylnaphthalen-2-yl)-3-methylthieno[2,3-c]pyridin-2-yl]-cyclohexyl-di(propan-2-yl)silane (CID 170660435) is [7-(4-tert-butylnaphthalen-2-yl)-3-methylthieno[2,3-c]pyridin-2-yl]-cyclohexyl-di(propan-2-yl)silane.
What is the SMILES notation for [7-(4-tert-butylnaphthalen-2-yl)-3-methylthieno[2,3-c]pyridin-2-yl]-cyclohexyl-di(propan-2-yl)silane?
The canonical SMILES for [7-(4-tert-butylnaphthalen-2-yl)-3-methylthieno[2,3-c]pyridin-2-yl]-cyclohexyl-di(propan-2-yl)silane is Cc1c([Si](C(C)C)(C(C)C)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]-cyclohexyl-di(propan-2-yl)silane?
The InChIKey is PXZIEGUXABVVHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H45NSSi/c1-22(2)37(23(3)4,27-15-10-9-11-16-27)33-24(5)28-18-19-35-31(32(28)36-33)26-20-25-14-12-13-17-29(25)30(21-26)34(6,7)8/h12-14,17-23,27H,9-11,15-16H2,1-8H3.
What are the key properties of [7-(4-tert-butylnaphthalen-2-yl)-3-methylthieno[2,3-c]pyridin-2-yl]-cyclohexyl-di(propan-2-yl)silane?
[7-(4-tert-butylnaphthalen-2-yl)-3-methylthieno[2,3-c]pyridin-2-yl]-cyclohexyl-di(propan-2-yl)silane has a molecular weight of 527.89 g/mol, XLogP of 10.53, 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]-cyclohexyl-di(propan-2-yl)silane is sourced from PubChem (CID 170660435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).