bis(6-carbazol-9-yl-[1]benzothiolo[2,3-c]pyridin-1-yl)-diphenylsilane

C58H36N4S2Si — CID 140811510

IUPACbis(6-carbazol-9-yl-[1]benzothiolo[2,3-c]pyridin-1-yl)-diphenylsilane
SMILESc1ccc([Si](c2ccccc2)(c2nccc3c2sc2ccc(-n4c5ccccc5c5ccccc54)cc23)c2nccc3c2sc2ccc(-n4c5ccccc5c5ccccc54)cc23)cc1
InChIInChI=1S/C58H36N4S2Si/c1-3-15-39(16-4-1)65(40-17-5-2-6-18-40,57-55-45(31-33-59-57)47-35-37(27-29-53(47)63-55)61-49-23-11-7-19-41(49)42-20-8-12-24-50(42)61)58-56-46(32-34-60-58)48-36-38(28-30-54(48)64-56)62-51-25-13-9-21-43(51)44-22-10-14-26-52(44)62/h1-36H
InChIKeyHVRNORCJVHTPPX-UHFFFAOYSA-N
MW881.17 g/mol
LogP12.78
Rot. Bonds6

About bis(6-carbazol-9-yl-[1]benzothiolo[2,3-c]pyridin-1-yl)-diphenylsilane

bis(6-carbazol-9-yl-[1]benzothiolo[2,3-c]pyridin-1-yl)-diphenylsilane (PubChem CID 140811510) has the molecular formula C58H36N4S2Si and a molecular weight of 881.17 g/mol. Its IUPAC name is bis(6-carbazol-9-yl-[1]benzothiolo[2,3-c]pyridin-1-yl)-diphenylsilane.

Molecular Properties

Compound Namebis(6-carbazol-9-yl-[1]benzothiolo[2,3-c]pyridin-1-yl)-diphenylsilane
PubChem CID140811510
Molecular FormulaC58H36N4S2Si
Molecular Weight881.17 g/mol
Exact Mass880.22
IUPAC Namebis(6-carbazol-9-yl-[1]benzothiolo[2,3-c]pyridin-1-yl)-diphenylsilane
SMILESc1ccc([Si](c2ccccc2)(c2nccc3c2sc2ccc(-n4c5ccccc5c5ccccc54)cc23)c2nccc3c2sc2ccc(-n4c5ccccc5c5ccccc54)cc23)cc1
InChIInChI=1S/C58H36N4S2Si/c1-3-15-39(16-4-1)65(40-17-5-2-6-18-40,57-55-45(31-33-59-57)47-35-37(27-29-53(47)63-55)61-49-23-11-7-19-41(49)42-20-8-12-24-50(42)61)58-56-46(32-34-60-58)48-36-38(28-30-54(48)64-56)62-51-25-13-9-21-43(51)44-22-10-14-26-52(44)62/h1-36H
InChIKeyHVRNORCJVHTPPX-UHFFFAOYSA-N
XLogP12.78
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500881.17
LogP ≤ 512.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-carbazol-9-yl-[1]benzothiolo[2,3-c]pyridin-1-yl)-diphenylsilane?
The IUPAC name of bis(6-carbazol-9-yl-[1]benzothiolo[2,3-c]pyridin-1-yl)-diphenylsilane (CID 140811510) is bis(6-carbazol-9-yl-[1]benzothiolo[2,3-c]pyridin-1-yl)-diphenylsilane.
What is the SMILES notation for bis(6-carbazol-9-yl-[1]benzothiolo[2,3-c]pyridin-1-yl)-diphenylsilane?
The canonical SMILES for bis(6-carbazol-9-yl-[1]benzothiolo[2,3-c]pyridin-1-yl)-diphenylsilane is c1ccc([Si](c2ccccc2)(c2nccc3c2sc2ccc(-n4c5ccccc5c5ccccc54)cc23)c2nccc3c2sc2ccc(-n4c5ccccc5c5ccccc54)cc23)cc1.
What is the InChIKey of bis(6-carbazol-9-yl-[1]benzothiolo[2,3-c]pyridin-1-yl)-diphenylsilane?
The InChIKey is HVRNORCJVHTPPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H36N4S2Si/c1-3-15-39(16-4-1)65(40-17-5-2-6-18-40,57-55-45(31-33-59-57)47-35-37(27-29-53(47)63-55)61-49-23-11-7-19-41(49)42-20-8-12-24-50(42)61)58-56-46(32-34-60-58)48-36-38(28-30-54(48)64-56)62-51-25-13-9-21-43(51)44-22-10-14-26-52(44)62/h1-36H.
What are the key properties of bis(6-carbazol-9-yl-[1]benzothiolo[2,3-c]pyridin-1-yl)-diphenylsilane?
bis(6-carbazol-9-yl-[1]benzothiolo[2,3-c]pyridin-1-yl)-diphenylsilane has a molecular weight of 881.17 g/mol, XLogP of 12.78, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(6-carbazol-9-yl-[1]benzothiolo[2,3-c]pyridin-1-yl)-diphenylsilane is sourced from PubChem (CID 140811510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).