2-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)furan

C28H20OSi — CID 153288755

IUPAC2-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)furan
SMILESc1ccc([Si]2(c3ccccc3)c3ccccc3-c3ccc(-c4ccco4)cc32)cc1
InChIInChI=1S/C28H20OSi/c1-3-10-22(11-4-1)30(23-12-5-2-6-13-23)27-16-8-7-14-24(27)25-18-17-21(20-28(25)30)26-15-9-19-29-26/h1-20H
InChIKeyFDNQRRCKBQEMOU-UHFFFAOYSA-N
MW400.55 g/mol
LogP4.30
Rot. Bonds3

About 2-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)furan

2-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)furan (PubChem CID 153288755) has the molecular formula C28H20OSi and a molecular weight of 400.55 g/mol. Its IUPAC name is 2-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)furan.

Molecular Properties

Compound Name2-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)furan
PubChem CID153288755
Molecular FormulaC28H20OSi
Molecular Weight400.55 g/mol
Exact Mass400.13
IUPAC Name2-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)furan
SMILESc1ccc([Si]2(c3ccccc3)c3ccccc3-c3ccc(-c4ccco4)cc32)cc1
InChIInChI=1S/C28H20OSi/c1-3-10-22(11-4-1)30(23-12-5-2-6-13-23)27-16-8-7-14-24(27)25-18-17-21(20-28(25)30)26-15-9-19-29-26/h1-20H
InChIKeyFDNQRRCKBQEMOU-UHFFFAOYSA-N
XLogP4.30
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.55
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 2-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)furan?
The IUPAC name of 2-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)furan (CID 153288755) is 2-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)furan.
What is the SMILES notation for 2-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)furan?
The canonical SMILES for 2-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)furan is c1ccc([Si]2(c3ccccc3)c3ccccc3-c3ccc(-c4ccco4)cc32)cc1.
What is the InChIKey of 2-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)furan?
The InChIKey is FDNQRRCKBQEMOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20OSi/c1-3-10-22(11-4-1)30(23-12-5-2-6-13-23)27-16-8-7-14-24(27)25-18-17-21(20-28(25)30)26-15-9-19-29-26/h1-20H.
What are the key properties of 2-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)furan?
2-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)furan has a molecular weight of 400.55 g/mol, XLogP of 4.30, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)furan is sourced from PubChem (CID 153288755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).