dibenzothiophen-4-yl-diphenyl-[3-(10-phenylbenzo[b][1,4]benzoxasilin-10-yl)phenyl]silane

C48H34OSSi2 — CID 140831665

IUPACdibenzothiophen-4-yl-diphenyl-[3-(10-phenylbenzo[b][1,4]benzoxasilin-10-yl)phenyl]silane
SMILESc1ccc([Si]2(c3cccc([Si](c4ccccc4)(c4ccccc4)c4cccc5c4sc4ccccc45)c3)c3ccccc3Oc3ccccc32)cc1
InChIInChI=1S/C48H34OSSi2/c1-4-18-35(19-5-1)51(36-20-6-2-7-21-36,47-33-17-27-41-40-26-10-13-30-44(40)50-48(41)47)38-24-16-25-39(34-38)52(37-22-8-3-9-23-37)45-31-14-11-28-42(45)49-43-29-12-15-32-46(43)52/h1-34H
InChIKeySCUUNSHEPYOOAI-UHFFFAOYSA-N
MW715.04 g/mol
LogP6.91
Rot. Bonds6

About dibenzothiophen-4-yl-diphenyl-[3-(10-phenylbenzo[b][1,4]benzoxasilin-10-yl)phenyl]silane

dibenzothiophen-4-yl-diphenyl-[3-(10-phenylbenzo[b][1,4]benzoxasilin-10-yl)phenyl]silane (PubChem CID 140831665) has the molecular formula C48H34OSSi2 and a molecular weight of 715.04 g/mol. Its IUPAC name is dibenzothiophen-4-yl-diphenyl-[3-(10-phenylbenzo[b][1,4]benzoxasilin-10-yl)phenyl]silane.

Molecular Properties

Compound Namedibenzothiophen-4-yl-diphenyl-[3-(10-phenylbenzo[b][1,4]benzoxasilin-10-yl)phenyl]silane
PubChem CID140831665
Molecular FormulaC48H34OSSi2
Molecular Weight715.04 g/mol
Exact Mass714.19
IUPAC Namedibenzothiophen-4-yl-diphenyl-[3-(10-phenylbenzo[b][1,4]benzoxasilin-10-yl)phenyl]silane
SMILESc1ccc([Si]2(c3cccc([Si](c4ccccc4)(c4ccccc4)c4cccc5c4sc4ccccc45)c3)c3ccccc3Oc3ccccc32)cc1
InChIInChI=1S/C48H34OSSi2/c1-4-18-35(19-5-1)51(36-20-6-2-7-21-36,47-33-17-27-41-40-26-10-13-30-44(40)50-48(41)47)38-24-16-25-39(34-38)52(37-22-8-3-9-23-37)45-31-14-11-28-42(45)49-43-29-12-15-32-46(43)52/h1-34H
InChIKeySCUUNSHEPYOOAI-UHFFFAOYSA-N
XLogP6.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500715.04
LogP ≤ 56.91
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
dibenzothiophen-4-yl-[dibenzothiophen-4-yl(diphenyl)silyl]-diphenylsilane
CID 140776683
(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-(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-benzo[b][1,4]benzoxaborinin-10-yldibenzothiophen-2-yl)-triphenylsilane
CID 166006932
[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-[7-[dibenzothiophen-4-yl(diphenyl)silyl]triphenylen-2-yl]-diphenylsilane
CID 154007185
dibenzothiophen-4-yl-diphenyl-[3-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]phenyl]silane
CID 89397676
N-(4-naphthalen-1-ylphenyl)-N-[6-(10-phenylbenzo[b][1,4]benzoxasilin-10-yl)naphthalen-2-yl]dibenzothiophen-3-amine
CID 140872026
9-[4-(3-dibenzothiophen-2-yl-10-phenylbenzo[b][1,4]benzoxasilin-10-yl)phenyl]carbazole
CID 177291198

Frequently Asked Questions

What is the IUPAC name of dibenzothiophen-4-yl-diphenyl-[3-(10-phenylbenzo[b][1,4]benzoxasilin-10-yl)phenyl]silane?
The IUPAC name of dibenzothiophen-4-yl-diphenyl-[3-(10-phenylbenzo[b][1,4]benzoxasilin-10-yl)phenyl]silane (CID 140831665) is dibenzothiophen-4-yl-diphenyl-[3-(10-phenylbenzo[b][1,4]benzoxasilin-10-yl)phenyl]silane.
What is the SMILES notation for dibenzothiophen-4-yl-diphenyl-[3-(10-phenylbenzo[b][1,4]benzoxasilin-10-yl)phenyl]silane?
The canonical SMILES for dibenzothiophen-4-yl-diphenyl-[3-(10-phenylbenzo[b][1,4]benzoxasilin-10-yl)phenyl]silane is c1ccc([Si]2(c3cccc([Si](c4ccccc4)(c4ccccc4)c4cccc5c4sc4ccccc45)c3)c3ccccc3Oc3ccccc32)cc1.
What is the InChIKey of dibenzothiophen-4-yl-diphenyl-[3-(10-phenylbenzo[b][1,4]benzoxasilin-10-yl)phenyl]silane?
The InChIKey is SCUUNSHEPYOOAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H34OSSi2/c1-4-18-35(19-5-1)51(36-20-6-2-7-21-36,47-33-17-27-41-40-26-10-13-30-44(40)50-48(41)47)38-24-16-25-39(34-38)52(37-22-8-3-9-23-37)45-31-14-11-28-42(45)49-43-29-12-15-32-46(43)52/h1-34H.
What are the key properties of dibenzothiophen-4-yl-diphenyl-[3-(10-phenylbenzo[b][1,4]benzoxasilin-10-yl)phenyl]silane?
dibenzothiophen-4-yl-diphenyl-[3-(10-phenylbenzo[b][1,4]benzoxasilin-10-yl)phenyl]silane has a molecular weight of 715.04 g/mol, XLogP of 6.91, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dibenzothiophen-4-yl-diphenyl-[3-(10-phenylbenzo[b][1,4]benzoxasilin-10-yl)phenyl]silane is sourced from PubChem (CID 140831665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).