bis[6-([1]benzothiolo[2,3-c]pyridin-1-yl)-[1]benzothiolo[2,3-c]pyridin-1-yl]-diphenylsilane

C56H32N4S4Si — CID 140811560

IUPACbis[6-([1]benzothiolo[2,3-c]pyridin-1-yl)-[1]benzothiolo[2,3-c]pyridin-1-yl]-diphenylsilane
SMILESc1ccc([Si](c2ccccc2)(c2nccc3c2sc2ccc(-c4nccc5c4sc4ccccc45)cc23)c2nccc3c2sc2ccc(-c4nccc5c4sc4ccccc45)cc23)cc1
InChIInChI=1S/C56H32N4S4Si/c1-3-11-35(12-4-1)65(36-13-5-2-6-14-36,55-53-41(25-29-59-55)43-31-33(19-21-47(43)63-53)49-51-39(23-27-57-49)37-15-7-9-17-45(37)61-51)56-54-42(26-30-60-56)44-32-34(20-22-48(44)64-54)50-52-40(24-28-58-50)38-16-8-10-18-46(38)62-52/h1-32H
InChIKeyHZDSFSBWDNNSMS-UHFFFAOYSA-N
MW917.25 g/mol
LogP13.45
Rot. Bonds6

About bis[6-([1]benzothiolo[2,3-c]pyridin-1-yl)-[1]benzothiolo[2,3-c]pyridin-1-yl]-diphenylsilane

bis[6-([1]benzothiolo[2,3-c]pyridin-1-yl)-[1]benzothiolo[2,3-c]pyridin-1-yl]-diphenylsilane (PubChem CID 140811560) has the molecular formula C56H32N4S4Si and a molecular weight of 917.25 g/mol. Its IUPAC name is bis[6-([1]benzothiolo[2,3-c]pyridin-1-yl)-[1]benzothiolo[2,3-c]pyridin-1-yl]-diphenylsilane.

Molecular Properties

Compound Namebis[6-([1]benzothiolo[2,3-c]pyridin-1-yl)-[1]benzothiolo[2,3-c]pyridin-1-yl]-diphenylsilane
PubChem CID140811560
Molecular FormulaC56H32N4S4Si
Molecular Weight917.25 g/mol
Exact Mass916.13
IUPAC Namebis[6-([1]benzothiolo[2,3-c]pyridin-1-yl)-[1]benzothiolo[2,3-c]pyridin-1-yl]-diphenylsilane
SMILESc1ccc([Si](c2ccccc2)(c2nccc3c2sc2ccc(-c4nccc5c4sc4ccccc45)cc23)c2nccc3c2sc2ccc(-c4nccc5c4sc4ccccc45)cc23)cc1
InChIInChI=1S/C56H32N4S4Si/c1-3-11-35(12-4-1)65(36-13-5-2-6-14-36,55-53-41(25-29-59-55)43-31-33(19-21-47(43)63-53)49-51-39(23-27-57-49)37-15-7-9-17-45(37)61-51)56-54-42(26-30-60-56)44-32-34(20-22-48(44)64-54)50-52-40(24-28-58-50)38-16-8-10-18-46(38)62-52/h1-32H
InChIKeyHZDSFSBWDNNSMS-UHFFFAOYSA-N
XLogP13.45
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500917.25
LogP ≤ 513.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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 bis[6-([1]benzothiolo[2,3-c]pyridin-1-yl)-[1]benzothiolo[2,3-c]pyridin-1-yl]-diphenylsilane?
The IUPAC name of bis[6-([1]benzothiolo[2,3-c]pyridin-1-yl)-[1]benzothiolo[2,3-c]pyridin-1-yl]-diphenylsilane (CID 140811560) is bis[6-([1]benzothiolo[2,3-c]pyridin-1-yl)-[1]benzothiolo[2,3-c]pyridin-1-yl]-diphenylsilane.
What is the SMILES notation for bis[6-([1]benzothiolo[2,3-c]pyridin-1-yl)-[1]benzothiolo[2,3-c]pyridin-1-yl]-diphenylsilane?
The canonical SMILES for bis[6-([1]benzothiolo[2,3-c]pyridin-1-yl)-[1]benzothiolo[2,3-c]pyridin-1-yl]-diphenylsilane is c1ccc([Si](c2ccccc2)(c2nccc3c2sc2ccc(-c4nccc5c4sc4ccccc45)cc23)c2nccc3c2sc2ccc(-c4nccc5c4sc4ccccc45)cc23)cc1.
What is the InChIKey of bis[6-([1]benzothiolo[2,3-c]pyridin-1-yl)-[1]benzothiolo[2,3-c]pyridin-1-yl]-diphenylsilane?
The InChIKey is HZDSFSBWDNNSMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H32N4S4Si/c1-3-11-35(12-4-1)65(36-13-5-2-6-14-36,55-53-41(25-29-59-55)43-31-33(19-21-47(43)63-53)49-51-39(23-27-57-49)37-15-7-9-17-45(37)61-51)56-54-42(26-30-60-56)44-32-34(20-22-48(44)64-54)50-52-40(24-28-58-50)38-16-8-10-18-46(38)62-52/h1-32H.
What are the key properties of bis[6-([1]benzothiolo[2,3-c]pyridin-1-yl)-[1]benzothiolo[2,3-c]pyridin-1-yl]-diphenylsilane?
bis[6-([1]benzothiolo[2,3-c]pyridin-1-yl)-[1]benzothiolo[2,3-c]pyridin-1-yl]-diphenylsilane has a molecular weight of 917.25 g/mol, XLogP of 13.45, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis[6-([1]benzothiolo[2,3-c]pyridin-1-yl)-[1]benzothiolo[2,3-c]pyridin-1-yl]-diphenylsilane is sourced from PubChem (CID 140811560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).