dibenzothiophen-4-yl-[6-[dibenzothiophen-4-yl(diphenyl)silyl]dibenzothiophen-4-yl]-diphenylsilane

C60H40S3Si2 — CID 154007138

IUPACdibenzothiophen-4-yl-[6-[dibenzothiophen-4-yl(diphenyl)silyl]dibenzothiophen-4-yl]-diphenylsilane
SMILESc1ccc([Si](c2ccccc2)(c2cccc3c2sc2ccccc23)c2cccc3c2sc2c([Si](c4ccccc4)(c4ccccc4)c4cccc5c4sc4ccccc45)cccc23)cc1
InChIInChI=1S/C60H40S3Si2/c1-5-21-41(22-6-1)64(42-23-7-2-8-24-42,53-37-17-31-47-45-29-13-15-35-51(45)61-57(47)53)55-39-19-33-49-50-34-20-40-56(60(50)63-59(49)55)65(43-25-9-3-10-26-43,44-27-11-4-12-28-44)54-38-18-32-48-46-30-14-16-36-52(46)62-58(48)54/h1-40H
InChIKeyMEFVFEALPNTYSA-UHFFFAOYSA-N
MW913.35 g/mol
LogP11.55
Rot. Bonds8

About dibenzothiophen-4-yl-[6-[dibenzothiophen-4-yl(diphenyl)silyl]dibenzothiophen-4-yl]-diphenylsilane

dibenzothiophen-4-yl-[6-[dibenzothiophen-4-yl(diphenyl)silyl]dibenzothiophen-4-yl]-diphenylsilane (PubChem CID 154007138) has the molecular formula C60H40S3Si2 and a molecular weight of 913.35 g/mol. Its IUPAC name is dibenzothiophen-4-yl-[6-[dibenzothiophen-4-yl(diphenyl)silyl]dibenzothiophen-4-yl]-diphenylsilane.

Molecular Properties

Compound Namedibenzothiophen-4-yl-[6-[dibenzothiophen-4-yl(diphenyl)silyl]dibenzothiophen-4-yl]-diphenylsilane
PubChem CID154007138
Molecular FormulaC60H40S3Si2
Molecular Weight913.35 g/mol
Exact Mass912.18
IUPAC Namedibenzothiophen-4-yl-[6-[dibenzothiophen-4-yl(diphenyl)silyl]dibenzothiophen-4-yl]-diphenylsilane
SMILESc1ccc([Si](c2ccccc2)(c2cccc3c2sc2ccccc23)c2cccc3c2sc2c([Si](c4ccccc4)(c4ccccc4)c4cccc5c4sc4ccccc45)cccc23)cc1
InChIInChI=1S/C60H40S3Si2/c1-5-21-41(22-6-1)64(42-23-7-2-8-24-42,53-37-17-31-47-45-29-13-15-35-51(45)61-57(47)53)55-39-19-33-49-50-34-20-40-56(60(50)63-59(49)55)65(43-25-9-3-10-26-43,44-27-11-4-12-28-44)54-38-18-32-48-46-30-14-16-36-52(46)62-58(48)54/h1-40H
InChIKeyMEFVFEALPNTYSA-UHFFFAOYSA-N
XLogP11.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500913.35
LogP ≤ 511.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

dibenzothiophen-4-yl-[dibenzothiophen-4-yl(diphenyl)silyl]-diphenylsilane
CID 140776683
(3-chlorophenyl)-dibenzothiophen-4-yl-diphenylsilane
CID 155603139
(3-carbazol-9-ylphenyl)-[6-[dibenzothiophen-4-yl(diphenyl)silyl]dibenzothiophen-4-yl]-diphenylsilane
CID 154007179
(3-carbazol-9-ylphenyl)-[4-[dibenzothiophen-4-yl(diphenyl)silyl]phenyl]-diphenylsilane
CID 154007174
dibenzothiophen-4-yl-diphenyl-[3-(10-phenylbenzo[b][1,4]benzoxasilin-10-yl)phenyl]silane
CID 140831665
[3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-dibenzothiophen-4-yl-diphenylsilane
CID 164757111
[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-[4-[dibenzothiophen-4-yl(diphenyl)silyl]phenyl]-diphenylsilane
CID 154007181
(6-dibenzofuran-4-yldibenzofuran-4-yl)-(6-dibenzothiophen-4-yldibenzofuran-4-yl)-diphenylsilane
CID 140811666
dibenzothiophen-4-yl-diphenyl-[3-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]phenyl]silane
CID 89397676
diphenyl-bis[8-(9-phenylcarbazol-3-yl)dibenzothiophen-4-yl]silane
CID 140811711
[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-[7-[dibenzothiophen-4-yl(diphenyl)silyl]triphenylen-2-yl]-diphenylsilane
CID 154007185
[3-(4a,9a-dihydrocarbazol-9-yl)phenyl]-dibenzothiophen-4-yl-diphenylsilane
CID 140878114

Frequently Asked Questions

What is the IUPAC name of dibenzothiophen-4-yl-[6-[dibenzothiophen-4-yl(diphenyl)silyl]dibenzothiophen-4-yl]-diphenylsilane?
The IUPAC name of dibenzothiophen-4-yl-[6-[dibenzothiophen-4-yl(diphenyl)silyl]dibenzothiophen-4-yl]-diphenylsilane (CID 154007138) is dibenzothiophen-4-yl-[6-[dibenzothiophen-4-yl(diphenyl)silyl]dibenzothiophen-4-yl]-diphenylsilane.
What is the SMILES notation for dibenzothiophen-4-yl-[6-[dibenzothiophen-4-yl(diphenyl)silyl]dibenzothiophen-4-yl]-diphenylsilane?
The canonical SMILES for dibenzothiophen-4-yl-[6-[dibenzothiophen-4-yl(diphenyl)silyl]dibenzothiophen-4-yl]-diphenylsilane is c1ccc([Si](c2ccccc2)(c2cccc3c2sc2ccccc23)c2cccc3c2sc2c([Si](c4ccccc4)(c4ccccc4)c4cccc5c4sc4ccccc45)cccc23)cc1.
What is the InChIKey of dibenzothiophen-4-yl-[6-[dibenzothiophen-4-yl(diphenyl)silyl]dibenzothiophen-4-yl]-diphenylsilane?
The InChIKey is MEFVFEALPNTYSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H40S3Si2/c1-5-21-41(22-6-1)64(42-23-7-2-8-24-42,53-37-17-31-47-45-29-13-15-35-51(45)61-57(47)53)55-39-19-33-49-50-34-20-40-56(60(50)63-59(49)55)65(43-25-9-3-10-26-43,44-27-11-4-12-28-44)54-38-18-32-48-46-30-14-16-36-52(46)62-58(48)54/h1-40H.
What are the key properties of dibenzothiophen-4-yl-[6-[dibenzothiophen-4-yl(diphenyl)silyl]dibenzothiophen-4-yl]-diphenylsilane?
dibenzothiophen-4-yl-[6-[dibenzothiophen-4-yl(diphenyl)silyl]dibenzothiophen-4-yl]-diphenylsilane has a molecular weight of 913.35 g/mol, XLogP of 11.55, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dibenzothiophen-4-yl-[6-[dibenzothiophen-4-yl(diphenyl)silyl]dibenzothiophen-4-yl]-diphenylsilane is sourced from PubChem (CID 154007138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).