3-(3-chlorophenyl)-5,5-dimethylbenzo[b][1]benzosilole

C20H17ClSi — CID 174329879

IUPAC3-(3-chlorophenyl)-5,5-dimethylbenzo[b][1]benzosilole
SMILESC[Si]1(C)c2ccccc2-c2ccc(-c3cccc(Cl)c3)cc21
InChIInChI=1S/C20H17ClSi/c1-22(2)19-9-4-3-8-17(19)18-11-10-15(13-20(18)22)14-6-5-7-16(21)12-14/h3-13H,1-2H3
InChIKeyIFVFTTCGGHTYDB-UHFFFAOYSA-N
MW320.90 g/mol
LogP4.81
Rot. Bonds1

About 3-(3-chlorophenyl)-5,5-dimethylbenzo[b][1]benzosilole

3-(3-chlorophenyl)-5,5-dimethylbenzo[b][1]benzosilole (PubChem CID 174329879) has the molecular formula C20H17ClSi and a molecular weight of 320.90 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-5,5-dimethylbenzo[b][1]benzosilole.

Molecular Properties

Compound Name3-(3-chlorophenyl)-5,5-dimethylbenzo[b][1]benzosilole
PubChem CID174329879
Molecular FormulaC20H17ClSi
Molecular Weight320.90 g/mol
Exact Mass320.08
IUPAC Name3-(3-chlorophenyl)-5,5-dimethylbenzo[b][1]benzosilole
SMILESC[Si]1(C)c2ccccc2-c2ccc(-c3cccc(Cl)c3)cc21
InChIInChI=1S/C20H17ClSi/c1-22(2)19-9-4-3-8-17(19)18-11-10-15(13-20(18)22)14-6-5-7-16(21)12-14/h3-13H,1-2H3
InChIKeyIFVFTTCGGHTYDB-UHFFFAOYSA-N
XLogP4.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.90
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

4-Chloro-4''-ethyl-1,1':4',1''-terphenyl
CID 23391117
4-Chloro-4''-pentyl-1,1':4',1''-terphenyl
CID 23391119
4-Chloro-4''-propyl-1,1':4',1''-terphenyl
CID 23391120
4-Butyl-4''-chloro-1,1':4',1''-terphenyl
CID 23391145
3-Chloro-5,5-dimethyl-5H-dibenzo[b,d]silole
CID 123627900
[1-(3-Chlorophenyl)-3-phenylpropa-1,2-dienyl]-trimethylsilane
CID 164685337
2'-Chloro-1,1':4',1''-terphenyl
CID 22381578
1,4-Bis(3-chlorophenyl)benzene
CID 117818099
4-(4-Chlorophenyl)butan-2-yl-methyl-diphenylsilane
CID 134958717
CID 17770631
CID 17770631
2-Chloro-4-[4-(4-fluorobutyl)phenyl]-1-(4-methylphenyl)benzene
CID 20663543
4-[4-[4-[2-(4-Chlorophenyl)ethyl]phenyl]phenyl]-1-fluoro-1-pentylsilinane
CID 23367446

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-5,5-dimethylbenzo[b][1]benzosilole?
The IUPAC name of 3-(3-chlorophenyl)-5,5-dimethylbenzo[b][1]benzosilole (CID 174329879) is 3-(3-chlorophenyl)-5,5-dimethylbenzo[b][1]benzosilole.
What is the SMILES notation for 3-(3-chlorophenyl)-5,5-dimethylbenzo[b][1]benzosilole?
The canonical SMILES for 3-(3-chlorophenyl)-5,5-dimethylbenzo[b][1]benzosilole is C[Si]1(C)c2ccccc2-c2ccc(-c3cccc(Cl)c3)cc21.
What is the InChIKey of 3-(3-chlorophenyl)-5,5-dimethylbenzo[b][1]benzosilole?
The InChIKey is IFVFTTCGGHTYDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClSi/c1-22(2)19-9-4-3-8-17(19)18-11-10-15(13-20(18)22)14-6-5-7-16(21)12-14/h3-13H,1-2H3.
What are the key properties of 3-(3-chlorophenyl)-5,5-dimethylbenzo[b][1]benzosilole?
3-(3-chlorophenyl)-5,5-dimethylbenzo[b][1]benzosilole has a molecular weight of 320.90 g/mol, XLogP of 4.81, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-5,5-dimethylbenzo[b][1]benzosilole is sourced from PubChem (CID 174329879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).