dibenzothiophen-2-yl-(8-dibenzothiophen-2-yldibenzothiophen-2-yl)-diphenylsilane

C48H30S3Si — CID 90250529

IUPACdibenzothiophen-2-yl-(8-dibenzothiophen-2-yldibenzothiophen-2-yl)-diphenylsilane
SMILESc1ccc([Si](c2ccccc2)(c2ccc3sc4ccccc4c3c2)c2ccc3sc4ccc(-c5ccc6sc7ccccc7c6c5)cc4c3c2)cc1
InChIInChI=1S/C48H30S3Si/c1-3-11-33(12-4-1)52(34-13-5-2-6-14-34,35-21-25-47-41(29-35)38-16-8-10-18-44(38)50-47)36-22-26-48-42(30-36)40-28-32(20-24-46(40)51-48)31-19-23-45-39(27-31)37-15-7-9-17-43(37)49-45/h1-30H
InChIKeyQBLVTFISXUKBFP-UHFFFAOYSA-N
MW731.06 g/mol
LogP11.83
Rot. Bonds5

About dibenzothiophen-2-yl-(8-dibenzothiophen-2-yldibenzothiophen-2-yl)-diphenylsilane

dibenzothiophen-2-yl-(8-dibenzothiophen-2-yldibenzothiophen-2-yl)-diphenylsilane (PubChem CID 90250529) has the molecular formula C48H30S3Si and a molecular weight of 731.06 g/mol. Its IUPAC name is dibenzothiophen-2-yl-(8-dibenzothiophen-2-yldibenzothiophen-2-yl)-diphenylsilane.

Molecular Properties

Compound Namedibenzothiophen-2-yl-(8-dibenzothiophen-2-yldibenzothiophen-2-yl)-diphenylsilane
PubChem CID90250529
Molecular FormulaC48H30S3Si
Molecular Weight731.06 g/mol
Exact Mass730.13
IUPAC Namedibenzothiophen-2-yl-(8-dibenzothiophen-2-yldibenzothiophen-2-yl)-diphenylsilane
SMILESc1ccc([Si](c2ccccc2)(c2ccc3sc4ccccc4c3c2)c2ccc3sc4ccc(-c5ccc6sc7ccccc7c6c5)cc4c3c2)cc1
InChIInChI=1S/C48H30S3Si/c1-3-11-33(12-4-1)52(34-13-5-2-6-14-34,35-21-25-47-41(29-35)38-16-8-10-18-44(38)50-47)36-22-26-48-42(30-36)40-28-32(20-24-46(40)51-48)31-19-23-45-39(27-31)37-15-7-9-17-43(37)49-45/h1-30H
InChIKeyQBLVTFISXUKBFP-UHFFFAOYSA-N
XLogP11.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500731.06
LogP ≤ 511.83
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-2-yl-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-diphenylsilane
CID 168845229
(4-methylphenyl)-[4-[7-[4-[(4-methylphenyl)-diphenylsilyl]phenyl]dibenzothiophen-2-yl]phenyl]-diphenylsilane
CID 141320991
(3-dibenzothiophen-2-ylphenyl)-methyl-diphenylsilane
CID 123792211
[3-[2-(3-dibenzothiophen-2-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane
CID 166588164
[3-(2-carbazol-9-yl-6-dibenzothiophen-2-ylpyrimidin-4-yl)phenyl]-phenyl-bis(3-phenylphenyl)silane
CID 168836287
[3-[4-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]phenyl]phenyl]-trimethylsilane
CID 171056513
[3-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]phenyl]-trimethylsilane
CID 171056255
dibenzothiophen-3-yl-[3-(4-isocyanophenyl)phenyl]-diphenylsilane
CID 164757114
[4-[4-(6-dibenzothiophen-2-ylnaphthalen-2-yl)phenyl]phenyl]-trimethylsilane
CID 171056497
dibenzothiophen-3-yl-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-diphenylsilane
CID 164757082
2-(7-dibenzothiophen-2-yl-9,10-diphenylanthracen-2-yl)dibenzothiophene
CID 59745938
2,4-bis(3-dibenzothiophen-2-ylphenyl)-6-phenyl-1,3,5-triazine
CID 163871396

Frequently Asked Questions

What is the IUPAC name of dibenzothiophen-2-yl-(8-dibenzothiophen-2-yldibenzothiophen-2-yl)-diphenylsilane?
The IUPAC name of dibenzothiophen-2-yl-(8-dibenzothiophen-2-yldibenzothiophen-2-yl)-diphenylsilane (CID 90250529) is dibenzothiophen-2-yl-(8-dibenzothiophen-2-yldibenzothiophen-2-yl)-diphenylsilane.
What is the SMILES notation for dibenzothiophen-2-yl-(8-dibenzothiophen-2-yldibenzothiophen-2-yl)-diphenylsilane?
The canonical SMILES for dibenzothiophen-2-yl-(8-dibenzothiophen-2-yldibenzothiophen-2-yl)-diphenylsilane is c1ccc([Si](c2ccccc2)(c2ccc3sc4ccccc4c3c2)c2ccc3sc4ccc(-c5ccc6sc7ccccc7c6c5)cc4c3c2)cc1.
What is the InChIKey of dibenzothiophen-2-yl-(8-dibenzothiophen-2-yldibenzothiophen-2-yl)-diphenylsilane?
The InChIKey is QBLVTFISXUKBFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30S3Si/c1-3-11-33(12-4-1)52(34-13-5-2-6-14-34,35-21-25-47-41(29-35)38-16-8-10-18-44(38)50-47)36-22-26-48-42(30-36)40-28-32(20-24-46(40)51-48)31-19-23-45-39(27-31)37-15-7-9-17-43(37)49-45/h1-30H.
What are the key properties of dibenzothiophen-2-yl-(8-dibenzothiophen-2-yldibenzothiophen-2-yl)-diphenylsilane?
dibenzothiophen-2-yl-(8-dibenzothiophen-2-yldibenzothiophen-2-yl)-diphenylsilane has a molecular weight of 731.06 g/mol, XLogP of 11.83, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dibenzothiophen-2-yl-(8-dibenzothiophen-2-yldibenzothiophen-2-yl)-diphenylsilane is sourced from PubChem (CID 90250529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).