[8-([1]benzothiolo[2,3-c]pyridin-1-yl)-[1]benzothiolo[2,3-c]pyridin-1-yl]-[6-([1]benzothiolo[2,3-c]pyridin-1-yl)dibenzothiophen-4-yl]-diphenylsilane

C57H33N3S4Si — CID 140811635

IUPAC[8-([1]benzothiolo[2,3-c]pyridin-1-yl)-[1]benzothiolo[2,3-c]pyridin-1-yl]-[6-([1]benzothiolo[2,3-c]pyridin-1-yl)dibenzothiophen-4-yl]-diphenylsilane
SMILESc1ccc([Si](c2ccccc2)(c2cccc3c2sc2c(-c4nccc5c4sc4ccccc45)cccc23)c2nccc3c2sc2c(-c4nccc5c4sc4ccccc45)cccc23)cc1
InChIInChI=1S/C57H33N3S4Si/c1-3-14-34(15-4-1)65(35-16-5-2-6-17-35,48-27-13-22-40-38-20-11-23-44(51(38)63-53(40)48)49-54-41(28-31-58-49)36-18-7-9-25-46(36)61-54)57-56-43(30-33-60-57)39-21-12-24-45(52(39)64-56)50-55-42(29-32-59-50)37-19-8-10-26-47(37)62-55/h1-33H
InChIKeyRRFSSRYABVFDFM-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]-[6-([1]benzothiolo[2,3-c]pyridin-1-yl)dibenzothiophen-4-yl]-diphenylsilane

[8-([1]benzothiolo[2,3-c]pyridin-1-yl)-[1]benzothiolo[2,3-c]pyridin-1-yl]-[6-([1]benzothiolo[2,3-c]pyridin-1-yl)dibenzothiophen-4-yl]-diphenylsilane (PubChem CID 140811635) 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]-[6-([1]benzothiolo[2,3-c]pyridin-1-yl)dibenzothiophen-4-yl]-diphenylsilane.

Molecular Properties

Compound Name[8-([1]benzothiolo[2,3-c]pyridin-1-yl)-[1]benzothiolo[2,3-c]pyridin-1-yl]-[6-([1]benzothiolo[2,3-c]pyridin-1-yl)dibenzothiophen-4-yl]-diphenylsilane
PubChem CID140811635
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]-[6-([1]benzothiolo[2,3-c]pyridin-1-yl)dibenzothiophen-4-yl]-diphenylsilane
SMILESc1ccc([Si](c2ccccc2)(c2cccc3c2sc2c(-c4nccc5c4sc4ccccc45)cccc23)c2nccc3c2sc2c(-c4nccc5c4sc4ccccc45)cccc23)cc1
InChIInChI=1S/C57H33N3S4Si/c1-3-14-34(15-4-1)65(35-16-5-2-6-17-35,48-27-13-22-40-38-20-11-23-44(51(38)63-53(40)48)49-54-41(28-31-58-49)36-18-7-9-25-46(36)61-54)57-56-43(30-33-60-57)39-21-12-24-45(52(39)64-56)50-55-42(29-32-59-50)37-19-8-10-26-47(37)62-55/h1-33H
InChIKeyRRFSSRYABVFDFM-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'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze [8-([1]benzothiolo[2,3-c]pyridin-1-yl)-[1]benzothiolo[2,3-c]pyridin-1-yl]-[6-([1]benzothiolo[2,3-c]pyridin-1-yl)dibenzothiophen-4-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]-[6-([1]benzothiolo[2,3-c]pyridin-1-yl)dibenzothiophen-4-yl]-diphenylsilane?
The IUPAC name of [8-([1]benzothiolo[2,3-c]pyridin-1-yl)-[1]benzothiolo[2,3-c]pyridin-1-yl]-[6-([1]benzothiolo[2,3-c]pyridin-1-yl)dibenzothiophen-4-yl]-diphenylsilane (CID 140811635) is [8-([1]benzothiolo[2,3-c]pyridin-1-yl)-[1]benzothiolo[2,3-c]pyridin-1-yl]-[6-([1]benzothiolo[2,3-c]pyridin-1-yl)dibenzothiophen-4-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]-[6-([1]benzothiolo[2,3-c]pyridin-1-yl)dibenzothiophen-4-yl]-diphenylsilane?
The canonical SMILES for [8-([1]benzothiolo[2,3-c]pyridin-1-yl)-[1]benzothiolo[2,3-c]pyridin-1-yl]-[6-([1]benzothiolo[2,3-c]pyridin-1-yl)dibenzothiophen-4-yl]-diphenylsilane is c1ccc([Si](c2ccccc2)(c2cccc3c2sc2c(-c4nccc5c4sc4ccccc45)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]-[6-([1]benzothiolo[2,3-c]pyridin-1-yl)dibenzothiophen-4-yl]-diphenylsilane?
The InChIKey is RRFSSRYABVFDFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H33N3S4Si/c1-3-14-34(15-4-1)65(35-16-5-2-6-17-35,48-27-13-22-40-38-20-11-23-44(51(38)63-53(40)48)49-54-41(28-31-58-49)36-18-7-9-25-46(36)61-54)57-56-43(30-33-60-57)39-21-12-24-45(52(39)64-56)50-55-42(29-32-59-50)37-19-8-10-26-47(37)62-55/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]-[6-([1]benzothiolo[2,3-c]pyridin-1-yl)dibenzothiophen-4-yl]-diphenylsilane?
[8-([1]benzothiolo[2,3-c]pyridin-1-yl)-[1]benzothiolo[2,3-c]pyridin-1-yl]-[6-([1]benzothiolo[2,3-c]pyridin-1-yl)dibenzothiophen-4-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]-[6-([1]benzothiolo[2,3-c]pyridin-1-yl)dibenzothiophen-4-yl]-diphenylsilane is sourced from PubChem (CID 140811635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).