[8-([1]benzothiolo[2,3-c]pyridin-1-yl)-[1]benzothiolo[2,3-c]pyridin-1-yl]-(8-dibenzothiophen-4-yl-[1]benzothiolo[2,3-c]pyridin-1-yl)-diphenylsilane

C57H33N3S4Si — CID 140811568

IUPAC[8-([1]benzothiolo[2,3-c]pyridin-1-yl)-[1]benzothiolo[2,3-c]pyridin-1-yl]-(8-dibenzothiophen-4-yl-[1]benzothiolo[2,3-c]pyridin-1-yl)-diphenylsilane
SMILESc1ccc([Si](c2ccccc2)(c2nccc3c2sc2c(-c4cccc5c4sc4ccccc45)cccc23)c2nccc3c2sc2c(-c4nccc5c4sc4ccccc45)cccc23)cc1
InChIInChI=1S/C57H33N3S4Si/c1-3-14-34(15-4-1)65(35-16-5-2-6-17-35,56-54-44(29-32-59-56)41-23-12-22-40(51(41)63-54)39-21-11-20-38-36-18-7-9-26-47(36)61-50(38)39)57-55-45(30-33-60-57)42-24-13-25-46(52(42)64-55)49-53-43(28-31-58-49)37-19-8-10-27-48(37)62-53/h1-33H
InChIKeyNUQXIRZSRIPZQF-UHFFFAOYSA-N
MW916.27 g/mol
LogP14.05
Rot. Bonds6

About [8-([1]benzothiolo[2,3-c]pyridin-1-yl)-[1]benzothiolo[2,3-c]pyridin-1-yl]-(8-dibenzothiophen-4-yl-[1]benzothiolo[2,3-c]pyridin-1-yl)-diphenylsilane

[8-([1]benzothiolo[2,3-c]pyridin-1-yl)-[1]benzothiolo[2,3-c]pyridin-1-yl]-(8-dibenzothiophen-4-yl-[1]benzothiolo[2,3-c]pyridin-1-yl)-diphenylsilane (PubChem CID 140811568) has the molecular formula C57H33N3S4Si and a molecular weight of 916.27 g/mol. Its IUPAC name is [8-([1]benzothiolo[2,3-c]pyridin-1-yl)-[1]benzothiolo[2,3-c]pyridin-1-yl]-(8-dibenzothiophen-4-yl-[1]benzothiolo[2,3-c]pyridin-1-yl)-diphenylsilane.

Molecular Properties

Compound Name[8-([1]benzothiolo[2,3-c]pyridin-1-yl)-[1]benzothiolo[2,3-c]pyridin-1-yl]-(8-dibenzothiophen-4-yl-[1]benzothiolo[2,3-c]pyridin-1-yl)-diphenylsilane
PubChem CID140811568
Molecular FormulaC57H33N3S4Si
Molecular Weight916.27 g/mol
Exact Mass915.13
IUPAC Name[8-([1]benzothiolo[2,3-c]pyridin-1-yl)-[1]benzothiolo[2,3-c]pyridin-1-yl]-(8-dibenzothiophen-4-yl-[1]benzothiolo[2,3-c]pyridin-1-yl)-diphenylsilane
SMILESc1ccc([Si](c2ccccc2)(c2nccc3c2sc2c(-c4cccc5c4sc4ccccc45)cccc23)c2nccc3c2sc2c(-c4nccc5c4sc4ccccc45)cccc23)cc1
InChIInChI=1S/C57H33N3S4Si/c1-3-14-34(15-4-1)65(35-16-5-2-6-17-35,56-54-44(29-32-59-56)41-23-12-22-40(51(41)63-54)39-21-11-20-38-36-18-7-9-26-47(36)61-50(38)39)57-55-45(30-33-60-57)42-24-13-25-46(52(42)64-55)49-53-43(28-31-58-49)37-19-8-10-27-48(37)62-53/h1-33H
InChIKeyNUQXIRZSRIPZQF-UHFFFAOYSA-N
XLogP14.05
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500916.27
LogP ≤ 514.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze [8-([1]benzothiolo[2,3-c]pyridin-1-yl)-[1]benzothiolo[2,3-c]pyridin-1-yl]-(8-dibenzothiophen-4-yl-[1]benzothiolo[2,3-c]pyridin-1-yl)-diphenylsilane with MolForge

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Frequently Asked Questions

What is the IUPAC name of [8-([1]benzothiolo[2,3-c]pyridin-1-yl)-[1]benzothiolo[2,3-c]pyridin-1-yl]-(8-dibenzothiophen-4-yl-[1]benzothiolo[2,3-c]pyridin-1-yl)-diphenylsilane?
The IUPAC name of [8-([1]benzothiolo[2,3-c]pyridin-1-yl)-[1]benzothiolo[2,3-c]pyridin-1-yl]-(8-dibenzothiophen-4-yl-[1]benzothiolo[2,3-c]pyridin-1-yl)-diphenylsilane (CID 140811568) is [8-([1]benzothiolo[2,3-c]pyridin-1-yl)-[1]benzothiolo[2,3-c]pyridin-1-yl]-(8-dibenzothiophen-4-yl-[1]benzothiolo[2,3-c]pyridin-1-yl)-diphenylsilane.
What is the SMILES notation for [8-([1]benzothiolo[2,3-c]pyridin-1-yl)-[1]benzothiolo[2,3-c]pyridin-1-yl]-(8-dibenzothiophen-4-yl-[1]benzothiolo[2,3-c]pyridin-1-yl)-diphenylsilane?
The canonical SMILES for [8-([1]benzothiolo[2,3-c]pyridin-1-yl)-[1]benzothiolo[2,3-c]pyridin-1-yl]-(8-dibenzothiophen-4-yl-[1]benzothiolo[2,3-c]pyridin-1-yl)-diphenylsilane is c1ccc([Si](c2ccccc2)(c2nccc3c2sc2c(-c4cccc5c4sc4ccccc45)cccc23)c2nccc3c2sc2c(-c4nccc5c4sc4ccccc45)cccc23)cc1.
What is the InChIKey of [8-([1]benzothiolo[2,3-c]pyridin-1-yl)-[1]benzothiolo[2,3-c]pyridin-1-yl]-(8-dibenzothiophen-4-yl-[1]benzothiolo[2,3-c]pyridin-1-yl)-diphenylsilane?
The InChIKey is NUQXIRZSRIPZQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H33N3S4Si/c1-3-14-34(15-4-1)65(35-16-5-2-6-17-35,56-54-44(29-32-59-56)41-23-12-22-40(51(41)63-54)39-21-11-20-38-36-18-7-9-26-47(36)61-50(38)39)57-55-45(30-33-60-57)42-24-13-25-46(52(42)64-55)49-53-43(28-31-58-49)37-19-8-10-27-48(37)62-53/h1-33H.
What are the key properties of [8-([1]benzothiolo[2,3-c]pyridin-1-yl)-[1]benzothiolo[2,3-c]pyridin-1-yl]-(8-dibenzothiophen-4-yl-[1]benzothiolo[2,3-c]pyridin-1-yl)-diphenylsilane?
[8-([1]benzothiolo[2,3-c]pyridin-1-yl)-[1]benzothiolo[2,3-c]pyridin-1-yl]-(8-dibenzothiophen-4-yl-[1]benzothiolo[2,3-c]pyridin-1-yl)-diphenylsilane has a molecular weight of 916.27 g/mol, XLogP of 14.05, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [8-([1]benzothiolo[2,3-c]pyridin-1-yl)-[1]benzothiolo[2,3-c]pyridin-1-yl]-(8-dibenzothiophen-4-yl-[1]benzothiolo[2,3-c]pyridin-1-yl)-diphenylsilane is sourced from PubChem (CID 140811568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).