3-(4-chlorophenyl)-5,5-dimethylbenzo[b][1]benzosilole

C20H17ClSi — CID 155787081

IUPAC3-(4-chlorophenyl)-5,5-dimethylbenzo[b][1]benzosilole
SMILESC[Si]1(C)c2ccccc2-c2ccc(-c3ccc(Cl)cc3)cc21
InChIInChI=1S/C20H17ClSi/c1-22(2)19-6-4-3-5-17(19)18-12-9-15(13-20(18)22)14-7-10-16(21)11-8-14/h3-13H,1-2H3
InChIKeyXTROBESUDZFLLG-UHFFFAOYSA-N
MW320.90 g/mol
LogP4.81
Rot. Bonds1

About 3-(4-chlorophenyl)-5,5-dimethylbenzo[b][1]benzosilole

3-(4-chlorophenyl)-5,5-dimethylbenzo[b][1]benzosilole (PubChem CID 155787081) has the molecular formula C20H17ClSi and a molecular weight of 320.90 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-5,5-dimethylbenzo[b][1]benzosilole.

Molecular Properties

Compound Name3-(4-chlorophenyl)-5,5-dimethylbenzo[b][1]benzosilole
PubChem CID155787081
Molecular FormulaC20H17ClSi
Molecular Weight320.90 g/mol
Exact Mass320.08
IUPAC Name3-(4-chlorophenyl)-5,5-dimethylbenzo[b][1]benzosilole
SMILESC[Si]1(C)c2ccccc2-c2ccc(-c3ccc(Cl)cc3)cc21
InChIInChI=1S/C20H17ClSi/c1-22(2)19-6-4-3-5-17(19)18-12-9-15(13-20(18)22)14-7-10-16(21)11-8-14/h3-13H,1-2H3
InChIKeyXTROBESUDZFLLG-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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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-5,5-dimethylbenzo[b][1]benzosilole?
The IUPAC name of 3-(4-chlorophenyl)-5,5-dimethylbenzo[b][1]benzosilole (CID 155787081) is 3-(4-chlorophenyl)-5,5-dimethylbenzo[b][1]benzosilole.
What is the SMILES notation for 3-(4-chlorophenyl)-5,5-dimethylbenzo[b][1]benzosilole?
The canonical SMILES for 3-(4-chlorophenyl)-5,5-dimethylbenzo[b][1]benzosilole is C[Si]1(C)c2ccccc2-c2ccc(-c3ccc(Cl)cc3)cc21.
What is the InChIKey of 3-(4-chlorophenyl)-5,5-dimethylbenzo[b][1]benzosilole?
The InChIKey is XTROBESUDZFLLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClSi/c1-22(2)19-6-4-3-5-17(19)18-12-9-15(13-20(18)22)14-7-10-16(21)11-8-14/h3-13H,1-2H3.
What are the key properties of 3-(4-chlorophenyl)-5,5-dimethylbenzo[b][1]benzosilole?
3-(4-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-(4-chlorophenyl)-5,5-dimethylbenzo[b][1]benzosilole is sourced from PubChem (CID 155787081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).