bis[6-([1]benzothiolo[2,3-c]pyridin-1-yl)dibenzothiophen-4-yl]-diphenylsilane

C58H34N2S4Si — CID 140811497

IUPACbis[6-([1]benzothiolo[2,3-c]pyridin-1-yl)dibenzothiophen-4-yl]-diphenylsilane
SMILESc1ccc([Si](c2ccccc2)(c2cccc3c2sc2c(-c4nccc5c4sc4ccccc45)cccc23)c2cccc3c2sc2c(-c4nccc5c4sc4ccccc45)cccc23)cc1
InChIInChI=1S/C58H34N2S4Si/c1-3-15-35(16-4-1)65(36-17-5-2-6-18-36,49-29-13-23-41-39-21-11-25-45(53(39)63-55(41)49)51-57-43(31-33-59-51)37-19-7-9-27-47(37)61-57)50-30-14-24-42-40-22-12-26-46(54(40)64-56(42)50)52-58-44(32-34-60-52)38-20-8-10-28-48(38)62-58/h1-34H
InChIKeyCCWDIWJWCGYQKN-UHFFFAOYSA-N
MW915.28 g/mol
LogP14.66
Rot. Bonds6

About bis[6-([1]benzothiolo[2,3-c]pyridin-1-yl)dibenzothiophen-4-yl]-diphenylsilane

bis[6-([1]benzothiolo[2,3-c]pyridin-1-yl)dibenzothiophen-4-yl]-diphenylsilane (PubChem CID 140811497) has the molecular formula C58H34N2S4Si and a molecular weight of 915.28 g/mol. Its IUPAC name is bis[6-([1]benzothiolo[2,3-c]pyridin-1-yl)dibenzothiophen-4-yl]-diphenylsilane.

Molecular Properties

Compound Namebis[6-([1]benzothiolo[2,3-c]pyridin-1-yl)dibenzothiophen-4-yl]-diphenylsilane
PubChem CID140811497
Molecular FormulaC58H34N2S4Si
Molecular Weight915.28 g/mol
Exact Mass914.14
IUPAC Namebis[6-([1]benzothiolo[2,3-c]pyridin-1-yl)dibenzothiophen-4-yl]-diphenylsilane
SMILESc1ccc([Si](c2ccccc2)(c2cccc3c2sc2c(-c4nccc5c4sc4ccccc45)cccc23)c2cccc3c2sc2c(-c4nccc5c4sc4ccccc45)cccc23)cc1
InChIInChI=1S/C58H34N2S4Si/c1-3-15-35(16-4-1)65(36-17-5-2-6-18-36,49-29-13-23-41-39-21-11-25-45(53(39)63-55(41)49)51-57-43(31-33-59-51)37-19-7-9-27-47(37)61-57)50-30-14-24-42-40-22-12-26-46(54(40)64-56(42)50)52-58-44(32-34-60-52)38-20-8-10-28-48(38)62-58/h1-34H
InChIKeyCCWDIWJWCGYQKN-UHFFFAOYSA-N
XLogP14.66
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500915.28
LogP ≤ 514.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 bis[6-([1]benzothiolo[2,3-c]pyridin-1-yl)dibenzothiophen-4-yl]-diphenylsilane?
The IUPAC name of bis[6-([1]benzothiolo[2,3-c]pyridin-1-yl)dibenzothiophen-4-yl]-diphenylsilane (CID 140811497) is bis[6-([1]benzothiolo[2,3-c]pyridin-1-yl)dibenzothiophen-4-yl]-diphenylsilane.
What is the SMILES notation for bis[6-([1]benzothiolo[2,3-c]pyridin-1-yl)dibenzothiophen-4-yl]-diphenylsilane?
The canonical SMILES for bis[6-([1]benzothiolo[2,3-c]pyridin-1-yl)dibenzothiophen-4-yl]-diphenylsilane is c1ccc([Si](c2ccccc2)(c2cccc3c2sc2c(-c4nccc5c4sc4ccccc45)cccc23)c2cccc3c2sc2c(-c4nccc5c4sc4ccccc45)cccc23)cc1.
What is the InChIKey of bis[6-([1]benzothiolo[2,3-c]pyridin-1-yl)dibenzothiophen-4-yl]-diphenylsilane?
The InChIKey is CCWDIWJWCGYQKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H34N2S4Si/c1-3-15-35(16-4-1)65(36-17-5-2-6-18-36,49-29-13-23-41-39-21-11-25-45(53(39)63-55(41)49)51-57-43(31-33-59-51)37-19-7-9-27-47(37)61-57)50-30-14-24-42-40-22-12-26-46(54(40)64-56(42)50)52-58-44(32-34-60-52)38-20-8-10-28-48(38)62-58/h1-34H.
What are the key properties of bis[6-([1]benzothiolo[2,3-c]pyridin-1-yl)dibenzothiophen-4-yl]-diphenylsilane?
bis[6-([1]benzothiolo[2,3-c]pyridin-1-yl)dibenzothiophen-4-yl]-diphenylsilane has a molecular weight of 915.28 g/mol, XLogP of 14.66, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis[6-([1]benzothiolo[2,3-c]pyridin-1-yl)dibenzothiophen-4-yl]-diphenylsilane is sourced from PubChem (CID 140811497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).