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

C58H34N2S4Si — CID 140811467

IUPAC(1-dibenzothiophen-4-yl-[1]benzothiolo[2,3-c]pyridin-8-yl)-(8-dibenzothiophen-4-yl-[1]benzothiolo[2,3-c]pyridin-1-yl)-diphenylsilane
SMILESc1ccc([Si](c2ccccc2)(c2cccc3c2sc2c(-c4cccc5c4sc4ccccc45)nccc23)c2nccc3c2sc2c(-c4cccc5c4sc4ccccc45)cccc23)cc1
InChIInChI=1S/C58H34N2S4Si/c1-3-15-35(16-4-1)65(36-17-5-2-6-18-36,50-30-14-26-44-45-31-33-59-51(56(45)64-55(44)50)47-27-13-22-40-38-20-8-10-29-49(38)62-54(40)47)58-57-46(32-34-60-58)43-25-12-24-42(53(43)63-57)41-23-11-21-39-37-19-7-9-28-48(37)61-52(39)41/h1-34H
InChIKeyPTALLFGNDWETQO-UHFFFAOYSA-N
MW915.28 g/mol
LogP14.66
Rot. Bonds6

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

(1-dibenzothiophen-4-yl-[1]benzothiolo[2,3-c]pyridin-8-yl)-(8-dibenzothiophen-4-yl-[1]benzothiolo[2,3-c]pyridin-1-yl)-diphenylsilane (PubChem CID 140811467) has the molecular formula C58H34N2S4Si and a molecular weight of 915.28 g/mol. Its IUPAC name is (1-dibenzothiophen-4-yl-[1]benzothiolo[2,3-c]pyridin-8-yl)-(8-dibenzothiophen-4-yl-[1]benzothiolo[2,3-c]pyridin-1-yl)-diphenylsilane.

Molecular Properties

Compound Name(1-dibenzothiophen-4-yl-[1]benzothiolo[2,3-c]pyridin-8-yl)-(8-dibenzothiophen-4-yl-[1]benzothiolo[2,3-c]pyridin-1-yl)-diphenylsilane
PubChem CID140811467
Molecular FormulaC58H34N2S4Si
Molecular Weight915.28 g/mol
Exact Mass914.14
IUPAC Name(1-dibenzothiophen-4-yl-[1]benzothiolo[2,3-c]pyridin-8-yl)-(8-dibenzothiophen-4-yl-[1]benzothiolo[2,3-c]pyridin-1-yl)-diphenylsilane
SMILESc1ccc([Si](c2ccccc2)(c2cccc3c2sc2c(-c4cccc5c4sc4ccccc45)nccc23)c2nccc3c2sc2c(-c4cccc5c4sc4ccccc45)cccc23)cc1
InChIInChI=1S/C58H34N2S4Si/c1-3-15-35(16-4-1)65(36-17-5-2-6-18-36,50-30-14-26-44-45-31-33-59-51(56(45)64-55(44)50)47-27-13-22-40-38-20-8-10-29-49(38)62-54(40)47)58-57-46(32-34-60-58)43-25-12-24-42(53(43)63-57)41-23-11-21-39-37-19-7-9-28-48(37)61-52(39)41/h1-34H
InChIKeyPTALLFGNDWETQO-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'}

Analyze (1-dibenzothiophen-4-yl-[1]benzothiolo[2,3-c]pyridin-8-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 (1-dibenzothiophen-4-yl-[1]benzothiolo[2,3-c]pyridin-8-yl)-(8-dibenzothiophen-4-yl-[1]benzothiolo[2,3-c]pyridin-1-yl)-diphenylsilane?
The IUPAC name of (1-dibenzothiophen-4-yl-[1]benzothiolo[2,3-c]pyridin-8-yl)-(8-dibenzothiophen-4-yl-[1]benzothiolo[2,3-c]pyridin-1-yl)-diphenylsilane (CID 140811467) is (1-dibenzothiophen-4-yl-[1]benzothiolo[2,3-c]pyridin-8-yl)-(8-dibenzothiophen-4-yl-[1]benzothiolo[2,3-c]pyridin-1-yl)-diphenylsilane.
What is the SMILES notation for (1-dibenzothiophen-4-yl-[1]benzothiolo[2,3-c]pyridin-8-yl)-(8-dibenzothiophen-4-yl-[1]benzothiolo[2,3-c]pyridin-1-yl)-diphenylsilane?
The canonical SMILES for (1-dibenzothiophen-4-yl-[1]benzothiolo[2,3-c]pyridin-8-yl)-(8-dibenzothiophen-4-yl-[1]benzothiolo[2,3-c]pyridin-1-yl)-diphenylsilane is c1ccc([Si](c2ccccc2)(c2cccc3c2sc2c(-c4cccc5c4sc4ccccc45)nccc23)c2nccc3c2sc2c(-c4cccc5c4sc4ccccc45)cccc23)cc1.
What is the InChIKey of (1-dibenzothiophen-4-yl-[1]benzothiolo[2,3-c]pyridin-8-yl)-(8-dibenzothiophen-4-yl-[1]benzothiolo[2,3-c]pyridin-1-yl)-diphenylsilane?
The InChIKey is PTALLFGNDWETQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H34N2S4Si/c1-3-15-35(16-4-1)65(36-17-5-2-6-18-36,50-30-14-26-44-45-31-33-59-51(56(45)64-55(44)50)47-27-13-22-40-38-20-8-10-29-49(38)62-54(40)47)58-57-46(32-34-60-58)43-25-12-24-42(53(43)63-57)41-23-11-21-39-37-19-7-9-28-48(37)61-52(39)41/h1-34H.
What are the key properties of (1-dibenzothiophen-4-yl-[1]benzothiolo[2,3-c]pyridin-8-yl)-(8-dibenzothiophen-4-yl-[1]benzothiolo[2,3-c]pyridin-1-yl)-diphenylsilane?
(1-dibenzothiophen-4-yl-[1]benzothiolo[2,3-c]pyridin-8-yl)-(8-dibenzothiophen-4-yl-[1]benzothiolo[2,3-c]pyridin-1-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 (1-dibenzothiophen-4-yl-[1]benzothiolo[2,3-c]pyridin-8-yl)-(8-dibenzothiophen-4-yl-[1]benzothiolo[2,3-c]pyridin-1-yl)-diphenylsilane is sourced from PubChem (CID 140811467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).