2-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)furan

C18H16OSi — CID 153288757

IUPAC2-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)furan
SMILESC[Si]1(C)c2ccccc2-c2cc(-c3ccco3)ccc21
InChIInChI=1S/C18H16OSi/c1-20(2)17-8-4-3-6-14(17)15-12-13(9-10-18(15)20)16-7-5-11-19-16/h3-12H,1-2H3
InChIKeyBJHWKFPPTFTAJR-UHFFFAOYSA-N
MW276.41 g/mol
LogP3.75
Rot. Bonds1

About 2-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)furan

2-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)furan (PubChem CID 153288757) has the molecular formula C18H16OSi and a molecular weight of 276.41 g/mol. Its IUPAC name is 2-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)furan.

Molecular Properties

Compound Name2-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)furan
PubChem CID153288757
Molecular FormulaC18H16OSi
Molecular Weight276.41 g/mol
Exact Mass276.10
IUPAC Name2-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)furan
SMILESC[Si]1(C)c2ccccc2-c2cc(-c3ccco3)ccc21
InChIInChI=1S/C18H16OSi/c1-20(2)17-8-4-3-6-14(17)15-12-13(9-10-18(15)20)16-7-5-11-19-16/h3-12H,1-2H3
InChIKeyBJHWKFPPTFTAJR-UHFFFAOYSA-N
XLogP3.75
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)furan
CID 153288755
2-[4-[4-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 155787156
2-iodo-5,5-dimethylbenzo[b][1]benzosilole
CID 140829027
2-[4-[3-[3-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)phenyl]phenyl]phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 155787296
2-thianthren-2-ylfuran
CID 19906719
[2-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)-5-phenyl-3-pyridinyl]-trimethylsilane
CID 140720085
2-[4-[3-[3-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)phenyl]phenyl]phenyl]-4,6-bis(3-phenylphenyl)pyridine
CID 155787405
2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2-yl)furan
CID 146495264
3-(4-chlorophenyl)-5,5-dimethylbenzo[b][1]benzosilole
CID 155787081
10-[2-[2-[2-(9,9-dimethylacridin-10-yl)phenyl]-5,5-dimethylbenzo[b][1]benzosilol-8-yl]phenyl]-9,9-dimethylacridine
CID 153320402
2-(4-fluoro-3-methylphenyl)furan
CID 135296198
2-[4-(2-phenylmethoxyphenyl)phenyl]furan
CID 168526553

Frequently Asked Questions

What is the IUPAC name of 2-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)furan?
The IUPAC name of 2-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)furan (CID 153288757) is 2-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)furan.
What is the SMILES notation for 2-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)furan?
The canonical SMILES for 2-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)furan is C[Si]1(C)c2ccccc2-c2cc(-c3ccco3)ccc21.
What is the InChIKey of 2-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)furan?
The InChIKey is BJHWKFPPTFTAJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16OSi/c1-20(2)17-8-4-3-6-14(17)15-12-13(9-10-18(15)20)16-7-5-11-19-16/h3-12H,1-2H3.
What are the key properties of 2-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)furan?
2-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)furan has a molecular weight of 276.41 g/mol, XLogP of 3.75, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)furan is sourced from PubChem (CID 153288757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).