(6-dibenzofuran-4-yldibenzofuran-4-yl)-(6-dibenzothiophen-4-yldibenzofuran-4-yl)-diphenylsilane

C60H36O3SSi — CID 140811666

IUPAC(6-dibenzofuran-4-yldibenzofuran-4-yl)-(6-dibenzothiophen-4-yldibenzofuran-4-yl)-diphenylsilane
SMILESc1ccc([Si](c2ccccc2)(c2cccc3c2oc2c(-c4cccc5c4oc4ccccc45)cccc23)c2cccc3c2oc2c(-c4cccc5c4sc4ccccc45)cccc23)cc1
InChIInChI=1S/C60H36O3SSi/c1-3-17-37(18-4-1)65(38-19-5-2-6-20-38,53-35-15-29-46-44-26-12-25-43(56(44)62-58(46)53)42-24-11-23-41-39-21-7-9-33-51(39)61-55(41)42)54-36-16-30-47-45-27-13-28-48(57(45)63-59(47)54)50-32-14-31-49-40-22-8-10-34-52(40)64-60(49)50/h1-36H
InChIKeyIOZUKXKSEQXRKN-UHFFFAOYSA-N
MW865.10 g/mol
LogP14.46
Rot. Bonds6

About (6-dibenzofuran-4-yldibenzofuran-4-yl)-(6-dibenzothiophen-4-yldibenzofuran-4-yl)-diphenylsilane

(6-dibenzofuran-4-yldibenzofuran-4-yl)-(6-dibenzothiophen-4-yldibenzofuran-4-yl)-diphenylsilane (PubChem CID 140811666) has the molecular formula C60H36O3SSi and a molecular weight of 865.10 g/mol. Its IUPAC name is (6-dibenzofuran-4-yldibenzofuran-4-yl)-(6-dibenzothiophen-4-yldibenzofuran-4-yl)-diphenylsilane.

Molecular Properties

Compound Name(6-dibenzofuran-4-yldibenzofuran-4-yl)-(6-dibenzothiophen-4-yldibenzofuran-4-yl)-diphenylsilane
PubChem CID140811666
Molecular FormulaC60H36O3SSi
Molecular Weight865.10 g/mol
Exact Mass864.22
IUPAC Name(6-dibenzofuran-4-yldibenzofuran-4-yl)-(6-dibenzothiophen-4-yldibenzofuran-4-yl)-diphenylsilane
SMILESc1ccc([Si](c2ccccc2)(c2cccc3c2oc2c(-c4cccc5c4oc4ccccc45)cccc23)c2cccc3c2oc2c(-c4cccc5c4sc4ccccc45)cccc23)cc1
InChIInChI=1S/C60H36O3SSi/c1-3-17-37(18-4-1)65(38-19-5-2-6-20-38,53-35-15-29-46-44-26-12-25-43(56(44)62-58(46)53)42-24-11-23-41-39-21-7-9-33-51(39)61-55(41)42)54-36-16-30-47-45-27-13-28-48(57(45)63-59(47)54)50-32-14-31-49-40-22-8-10-34-52(40)64-60(49)50/h1-36H
InChIKeyIOZUKXKSEQXRKN-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

(8-dibenzofuran-4-yldibenzofuran-4-yl)-(8-dibenzothiophen-4-yldibenzofuran-4-yl)-diphenylsilane
CID 140811543
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
[8-([1]benzofuro[2,3-c]pyridin-1-yl)-[1]benzofuro[2,3-c]pyridin-1-yl]-[8-([1]benzothiolo[2,3-c]pyridin-1-yl)-[1]benzofuro[2,3-c]pyridin-1-yl]-diphenylsilane
CID 140811724
dibenzothiophen-4-yl-[6-[dibenzothiophen-4-yl(diphenyl)silyl]dibenzothiophen-4-yl]-diphenylsilane
CID 154007138
2-dibenzofuran-4-yl-4-(1-dibenzothiophen-4-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazine
CID 155077964
2-dibenzofuran-4-yl-4-(9-dibenzothiophen-4-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 166952530
2-dibenzofuran-4-yl-4-dibenzothiophen-4-yl-6-methyl-1,3,5-triazine
CID 155603268
4-dibenzofuran-4-yl-2-dibenzothiophen-4-ylpyrimidine
CID 155078239
N-[4-(2-dibenzofuran-4-ylphenyl)phenyl]-N-(4-dibenzothiophen-4-ylphenyl)-4-phenylaniline
CID 154961714
2-(3-dibenzofuran-4-ylphenyl)-4,6-diphenyl-1,3,5-triazine;2-dibenzothiophen-4-yl-4,6-diphenyl-1,3,5-triazine
CID 144953430
2-[9-(6-dibenzothiophen-4-yldibenzofuran-4-yl)dibenzofuran-2-yl]-4,6-diphenyl-1,3,5-triazine
CID 159898357
2-(6-dibenzothiophen-4-yldibenzofuran-4-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 137496730

Frequently Asked Questions

What is the IUPAC name of (6-dibenzofuran-4-yldibenzofuran-4-yl)-(6-dibenzothiophen-4-yldibenzofuran-4-yl)-diphenylsilane?
The IUPAC name of (6-dibenzofuran-4-yldibenzofuran-4-yl)-(6-dibenzothiophen-4-yldibenzofuran-4-yl)-diphenylsilane (CID 140811666) is (6-dibenzofuran-4-yldibenzofuran-4-yl)-(6-dibenzothiophen-4-yldibenzofuran-4-yl)-diphenylsilane.
What is the SMILES notation for (6-dibenzofuran-4-yldibenzofuran-4-yl)-(6-dibenzothiophen-4-yldibenzofuran-4-yl)-diphenylsilane?
The canonical SMILES for (6-dibenzofuran-4-yldibenzofuran-4-yl)-(6-dibenzothiophen-4-yldibenzofuran-4-yl)-diphenylsilane is c1ccc([Si](c2ccccc2)(c2cccc3c2oc2c(-c4cccc5c4oc4ccccc45)cccc23)c2cccc3c2oc2c(-c4cccc5c4sc4ccccc45)cccc23)cc1.
What is the InChIKey of (6-dibenzofuran-4-yldibenzofuran-4-yl)-(6-dibenzothiophen-4-yldibenzofuran-4-yl)-diphenylsilane?
The InChIKey is IOZUKXKSEQXRKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H36O3SSi/c1-3-17-37(18-4-1)65(38-19-5-2-6-20-38,53-35-15-29-46-44-26-12-25-43(56(44)62-58(46)53)42-24-11-23-41-39-21-7-9-33-51(39)61-55(41)42)54-36-16-30-47-45-27-13-28-48(57(45)63-59(47)54)50-32-14-31-49-40-22-8-10-34-52(40)64-60(49)50/h1-36H.
What are the key properties of (6-dibenzofuran-4-yldibenzofuran-4-yl)-(6-dibenzothiophen-4-yldibenzofuran-4-yl)-diphenylsilane?
(6-dibenzofuran-4-yldibenzofuran-4-yl)-(6-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 (6-dibenzofuran-4-yldibenzofuran-4-yl)-(6-dibenzothiophen-4-yldibenzofuran-4-yl)-diphenylsilane is sourced from PubChem (CID 140811666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).