(8-dibenzofuran-4-yldibenzofuran-4-yl)-(8-dibenzothiophen-4-yldibenzofuran-4-yl)-diphenylsilane

C60H36O3SSi — CID 140811543

IUPAC(8-dibenzofuran-4-yldibenzofuran-4-yl)-(8-dibenzothiophen-4-yldibenzofuran-4-yl)-diphenylsilane
SMILESc1ccc([Si](c2ccccc2)(c2cccc3c2oc2ccc(-c4cccc5c4oc4ccccc45)cc23)c2cccc3c2oc2ccc(-c4cccc5c4sc4ccccc45)cc23)cc1
InChIInChI=1S/C60H36O3SSi/c1-3-15-39(16-4-1)65(40-17-5-2-6-18-40,55-29-13-24-46-49-35-37(31-33-52(49)62-58(46)55)41-21-11-23-45-43-19-7-9-27-51(43)61-57(41)45)56-30-14-25-47-50-36-38(32-34-53(50)63-59(47)56)42-22-12-26-48-44-20-8-10-28-54(44)64-60(42)48/h1-36H
InChIKeyYKPPOBULYBHCPM-UHFFFAOYSA-N
MW865.10 g/mol
LogP14.46
Rot. Bonds6

About (8-dibenzofuran-4-yldibenzofuran-4-yl)-(8-dibenzothiophen-4-yldibenzofuran-4-yl)-diphenylsilane

(8-dibenzofuran-4-yldibenzofuran-4-yl)-(8-dibenzothiophen-4-yldibenzofuran-4-yl)-diphenylsilane (PubChem CID 140811543) has the molecular formula C60H36O3SSi and a molecular weight of 865.10 g/mol. Its IUPAC name is (8-dibenzofuran-4-yldibenzofuran-4-yl)-(8-dibenzothiophen-4-yldibenzofuran-4-yl)-diphenylsilane.

Molecular Properties

Compound Name(8-dibenzofuran-4-yldibenzofuran-4-yl)-(8-dibenzothiophen-4-yldibenzofuran-4-yl)-diphenylsilane
PubChem CID140811543
Molecular FormulaC60H36O3SSi
Molecular Weight865.10 g/mol
Exact Mass864.22
IUPAC Name(8-dibenzofuran-4-yldibenzofuran-4-yl)-(8-dibenzothiophen-4-yldibenzofuran-4-yl)-diphenylsilane
SMILESc1ccc([Si](c2ccccc2)(c2cccc3c2oc2ccc(-c4cccc5c4oc4ccccc45)cc23)c2cccc3c2oc2ccc(-c4cccc5c4sc4ccccc45)cc23)cc1
InChIInChI=1S/C60H36O3SSi/c1-3-15-39(16-4-1)65(40-17-5-2-6-18-40,55-29-13-24-46-49-35-37(31-33-52(49)62-58(46)55)41-21-11-23-45-43-19-7-9-27-51(43)61-57(41)45)56-30-14-25-47-50-36-38(32-34-53(50)63-59(47)56)42-22-12-26-48-44-20-8-10-28-54(44)64-60(42)48/h1-36H
InChIKeyYKPPOBULYBHCPM-UHFFFAOYSA-N
XLogP14.46
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500865.10
LogP ≤ 514.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

bis(6-dibenzofuran-4-yldibenzofuran-4-yl)-diphenylsilane;bis(8-dibenzofuran-2-yldibenzofuran-4-yl)-diphenylsilane;bis(6-dibenzothiophen-4-yldibenzothiophen-4-yl)-diphenylsilane;bis(8-dibenzothiophen-4-yldibenzothiophen-4-yl)-diphenylsilane
CID 157266502
(6-dibenzofuran-4-yldibenzofuran-4-yl)-(6-dibenzothiophen-4-yldibenzofuran-4-yl)-diphenylsilane
CID 140811666
2-dibenzothiophen-4-yldibenzofuran
CID 137466632
4-(7-dibenzothiophen-4-yltriphenylen-2-yl)dibenzothiophene;2-phenyl-8-triphenylen-2-yldibenzofuran;4-phenyl-6-triphenylen-2-yldibenzofuran;4-phenyl-6-triphenylen-2-yldibenzothiophene;2-triphenylen-2-yldibenzofuran
CID 158113882
2-(4-dibenzofuran-4-ylphenyl)-4-(3-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazine
CID 130288940
4-(14-dibenzothiophen-2-yltetraphenylen-2-yl)dibenzofuran;2-(6-dibenzothiophen-2-yltetraphenylen-2-yl)dibenzothiophene;2-(6-dibenzothiophen-4-yltetraphenylen-2-yl)dibenzothiophene
CID 160970567
4-dibenzofuran-2-yl-N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)aniline
CID 118406191
20-dibenzothiophen-4-yl-16-oxahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8,10,12,15(23),17(22),18,20,24-dodecaene
CID 89348416
4-[3-[11-(3-dibenzothiophen-4-ylphenyl)triphenylen-2-yl]phenyl]dibenzothiophene;2-(3-triphenylen-2-ylphenyl)dibenzothiophene;4-(3-triphenylen-2-ylphenyl)dibenzothiophene;4-[3-(3-triphenylen-2-ylphenyl)phenyl]dibenzofuran;4-[3-(3-triphenylen-2-ylphenyl)phenyl]dibenzothiophene
CID 158785351
3-dibenzofuran-2-yl-6-dibenzofuran-4-yl-9-(3-dibenzothiophen-4-ylphenyl)carbazole
CID 137474285
2-(3-dibenzofuran-4-ylphenyl)-4-dibenzothiophen-4-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 171445309
4-(2'-dibenzothiophen-4-yl-9,9'-spirobi[fluorene]-2-yl)dibenzofuran
CID 59133493

Frequently Asked Questions

What is the IUPAC name of (8-dibenzofuran-4-yldibenzofuran-4-yl)-(8-dibenzothiophen-4-yldibenzofuran-4-yl)-diphenylsilane?
The IUPAC name of (8-dibenzofuran-4-yldibenzofuran-4-yl)-(8-dibenzothiophen-4-yldibenzofuran-4-yl)-diphenylsilane (CID 140811543) is (8-dibenzofuran-4-yldibenzofuran-4-yl)-(8-dibenzothiophen-4-yldibenzofuran-4-yl)-diphenylsilane.
What is the SMILES notation for (8-dibenzofuran-4-yldibenzofuran-4-yl)-(8-dibenzothiophen-4-yldibenzofuran-4-yl)-diphenylsilane?
The canonical SMILES for (8-dibenzofuran-4-yldibenzofuran-4-yl)-(8-dibenzothiophen-4-yldibenzofuran-4-yl)-diphenylsilane is c1ccc([Si](c2ccccc2)(c2cccc3c2oc2ccc(-c4cccc5c4oc4ccccc45)cc23)c2cccc3c2oc2ccc(-c4cccc5c4sc4ccccc45)cc23)cc1.
What is the InChIKey of (8-dibenzofuran-4-yldibenzofuran-4-yl)-(8-dibenzothiophen-4-yldibenzofuran-4-yl)-diphenylsilane?
The InChIKey is YKPPOBULYBHCPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H36O3SSi/c1-3-15-39(16-4-1)65(40-17-5-2-6-18-40,55-29-13-24-46-49-35-37(31-33-52(49)62-58(46)55)41-21-11-23-45-43-19-7-9-27-51(43)61-57(41)45)56-30-14-25-47-50-36-38(32-34-53(50)63-59(47)56)42-22-12-26-48-44-20-8-10-28-54(44)64-60(42)48/h1-36H.
What are the key properties of (8-dibenzofuran-4-yldibenzofuran-4-yl)-(8-dibenzothiophen-4-yldibenzofuran-4-yl)-diphenylsilane?
(8-dibenzofuran-4-yldibenzofuran-4-yl)-(8-dibenzothiophen-4-yldibenzofuran-4-yl)-diphenylsilane has a molecular weight of 865.10 g/mol, XLogP of 14.46, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8-dibenzofuran-4-yldibenzofuran-4-yl)-(8-dibenzothiophen-4-yldibenzofuran-4-yl)-diphenylsilane is sourced from PubChem (CID 140811543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).