(3-chlorophenyl)-dibenzothiophen-4-yl-diphenylsilane

C30H21ClSSi — CID 155603139

IUPAC(3-chlorophenyl)-dibenzothiophen-4-yl-diphenylsilane
SMILESClc1cccc([Si](c2ccccc2)(c2ccccc2)c2cccc3c2sc2ccccc23)c1
InChIInChI=1S/C30H21ClSSi/c31-22-11-9-16-25(21-22)33(23-12-3-1-4-13-23,24-14-5-2-6-15-24)29-20-10-18-27-26-17-7-8-19-28(26)32-30(27)29/h1-21H
InChIKeyBLYKYSABLSNEHW-UHFFFAOYSA-N
MW477.10 g/mol
LogP6.09
Rot. Bonds4

About (3-chlorophenyl)-dibenzothiophen-4-yl-diphenylsilane

(3-chlorophenyl)-dibenzothiophen-4-yl-diphenylsilane (PubChem CID 155603139) has the molecular formula C30H21ClSSi and a molecular weight of 477.10 g/mol. Its IUPAC name is (3-chlorophenyl)-dibenzothiophen-4-yl-diphenylsilane.

Molecular Properties

Compound Name(3-chlorophenyl)-dibenzothiophen-4-yl-diphenylsilane
PubChem CID155603139
Molecular FormulaC30H21ClSSi
Molecular Weight477.10 g/mol
Exact Mass476.08
IUPAC Name(3-chlorophenyl)-dibenzothiophen-4-yl-diphenylsilane
SMILESClc1cccc([Si](c2ccccc2)(c2ccccc2)c2cccc3c2sc2ccccc23)c1
InChIInChI=1S/C30H21ClSSi/c31-22-11-9-16-25(21-22)33(23-12-3-1-4-13-23,24-14-5-2-6-15-24)29-20-10-18-27-26-17-7-8-19-28(26)32-30(27)29/h1-21H
InChIKeyBLYKYSABLSNEHW-UHFFFAOYSA-N
XLogP6.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.10
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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
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
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
dibenzothiophen-4-yl-diphenyl-[3-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]phenyl]silane
CID 89397676
[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-[7-[dibenzothiophen-4-yl(diphenyl)silyl]triphenylen-2-yl]-diphenylsilane
CID 154007185
[3-(4a,9a-dihydrocarbazol-9-yl)phenyl]-dibenzothiophen-4-yl-diphenylsilane
CID 140878114
4-(3-chlorophenyl)dibenzothiophene
CID 118232411
(3-bromophenyl)-dibenzothiophen-4-yl-diphenylsilane;[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-dibenzothiophen-4-yl-diphenylsilane;dibenzothiophene;1,3-dibromobenzene
CID 161297195

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)-dibenzothiophen-4-yl-diphenylsilane?
The IUPAC name of (3-chlorophenyl)-dibenzothiophen-4-yl-diphenylsilane (CID 155603139) is (3-chlorophenyl)-dibenzothiophen-4-yl-diphenylsilane.
What is the SMILES notation for (3-chlorophenyl)-dibenzothiophen-4-yl-diphenylsilane?
The canonical SMILES for (3-chlorophenyl)-dibenzothiophen-4-yl-diphenylsilane is Clc1cccc([Si](c2ccccc2)(c2ccccc2)c2cccc3c2sc2ccccc23)c1.
What is the InChIKey of (3-chlorophenyl)-dibenzothiophen-4-yl-diphenylsilane?
The InChIKey is BLYKYSABLSNEHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H21ClSSi/c31-22-11-9-16-25(21-22)33(23-12-3-1-4-13-23,24-14-5-2-6-15-24)29-20-10-18-27-26-17-7-8-19-28(26)32-30(27)29/h1-21H.
What are the key properties of (3-chlorophenyl)-dibenzothiophen-4-yl-diphenylsilane?
(3-chlorophenyl)-dibenzothiophen-4-yl-diphenylsilane has a molecular weight of 477.10 g/mol, XLogP of 6.09, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)-dibenzothiophen-4-yl-diphenylsilane is sourced from PubChem (CID 155603139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).