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

C48H34S2Si2 — CID 140776683

IUPACdibenzothiophen-4-yl-[dibenzothiophen-4-yl(diphenyl)silyl]-diphenylsilane
SMILESc1ccc([Si](c2ccccc2)(c2cccc3c2sc2ccccc23)[Si](c2ccccc2)(c2ccccc2)c2cccc3c2sc2ccccc23)cc1
InChIInChI=1S/C48H34S2Si2/c1-5-19-35(20-6-1)51(36-21-7-2-8-22-36,45-33-17-29-41-39-27-13-15-31-43(39)49-47(41)45)52(37-23-9-3-10-24-37,38-25-11-4-12-26-38)46-34-18-30-42-40-28-14-16-32-44(40)50-48(42)46/h1-34H
InChIKeyQVGHDGOGTDTAMA-UHFFFAOYSA-N
MW731.11 g/mol
LogP9.14
Rot. Bonds7

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

dibenzothiophen-4-yl-[dibenzothiophen-4-yl(diphenyl)silyl]-diphenylsilane (PubChem CID 140776683) has the molecular formula C48H34S2Si2 and a molecular weight of 731.11 g/mol. Its IUPAC name is dibenzothiophen-4-yl-[dibenzothiophen-4-yl(diphenyl)silyl]-diphenylsilane.

Molecular Properties

Compound Namedibenzothiophen-4-yl-[dibenzothiophen-4-yl(diphenyl)silyl]-diphenylsilane
PubChem CID140776683
Molecular FormulaC48H34S2Si2
Molecular Weight731.11 g/mol
Exact Mass730.16
IUPAC Namedibenzothiophen-4-yl-[dibenzothiophen-4-yl(diphenyl)silyl]-diphenylsilane
SMILESc1ccc([Si](c2ccccc2)(c2cccc3c2sc2ccccc23)[Si](c2ccccc2)(c2ccccc2)c2cccc3c2sc2ccccc23)cc1
InChIInChI=1S/C48H34S2Si2/c1-5-19-35(20-6-1)51(36-21-7-2-8-22-36,45-33-17-29-41-39-27-13-15-31-43(39)49-47(41)45)52(37-23-9-3-10-24-37,38-25-11-4-12-26-38)46-34-18-30-42-40-28-14-16-32-44(40)50-48(42)46/h1-34H
InChIKeyQVGHDGOGTDTAMA-UHFFFAOYSA-N
XLogP9.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500731.11
LogP ≤ 59.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[6-[dibenzothiophen-4-yl(diphenyl)silyl]dibenzothiophen-4-yl]-diphenylsilane
CID 154007138
(3-chlorophenyl)-dibenzothiophen-4-yl-diphenylsilane
CID 155603139
dibenzothiophene;trimethyl-(6-methyldibenzothiophen-4-yl)silane
CID 159143305
(3-carbazol-9-ylphenyl)-[4-[dibenzothiophen-4-yl(diphenyl)silyl]phenyl]-diphenylsilane
CID 154007174
(3-carbazol-9-ylphenyl)-[6-[dibenzothiophen-4-yl(diphenyl)silyl]dibenzothiophen-4-yl]-diphenylsilane
CID 154007179
3,26-dithiaheptacyclo[13.11.1.12,10.04,9.019,27.020,25.014,28]octacosa-1,4,6,8,10(28),11,13,15,17,19(27),20,22,24-tridecaene
CID 149009096
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
tetra(dibenzothiophen-4-yl)-λ4-sulfane
CID 134590724
(6-dibenzofuran-4-yldibenzofuran-4-yl)-(6-dibenzothiophen-4-yldibenzofuran-4-yl)-diphenylsilane
CID 140811666
4-[4-(4-phenylphenyl)phenyl]dibenzothiophene
CID 118398729

Frequently Asked Questions

What is the IUPAC name of dibenzothiophen-4-yl-[dibenzothiophen-4-yl(diphenyl)silyl]-diphenylsilane?
The IUPAC name of dibenzothiophen-4-yl-[dibenzothiophen-4-yl(diphenyl)silyl]-diphenylsilane (CID 140776683) is dibenzothiophen-4-yl-[dibenzothiophen-4-yl(diphenyl)silyl]-diphenylsilane.
What is the SMILES notation for dibenzothiophen-4-yl-[dibenzothiophen-4-yl(diphenyl)silyl]-diphenylsilane?
The canonical SMILES for dibenzothiophen-4-yl-[dibenzothiophen-4-yl(diphenyl)silyl]-diphenylsilane is c1ccc([Si](c2ccccc2)(c2cccc3c2sc2ccccc23)[Si](c2ccccc2)(c2ccccc2)c2cccc3c2sc2ccccc23)cc1.
What is the InChIKey of dibenzothiophen-4-yl-[dibenzothiophen-4-yl(diphenyl)silyl]-diphenylsilane?
The InChIKey is QVGHDGOGTDTAMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H34S2Si2/c1-5-19-35(20-6-1)51(36-21-7-2-8-22-36,45-33-17-29-41-39-27-13-15-31-43(39)49-47(41)45)52(37-23-9-3-10-24-37,38-25-11-4-12-26-38)46-34-18-30-42-40-28-14-16-32-44(40)50-48(42)46/h1-34H.
What are the key properties of dibenzothiophen-4-yl-[dibenzothiophen-4-yl(diphenyl)silyl]-diphenylsilane?
dibenzothiophen-4-yl-[dibenzothiophen-4-yl(diphenyl)silyl]-diphenylsilane has a molecular weight of 731.11 g/mol, XLogP of 9.14, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dibenzothiophen-4-yl-[dibenzothiophen-4-yl(diphenyl)silyl]-diphenylsilane is sourced from PubChem (CID 140776683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).