(8-bromo-5,6-dihydronaphthalen-2-yl)-triphenylsilane

C28H23BrSi — CID 71446280

IUPAC(8-bromo-5,6-dihydronaphthalen-2-yl)-triphenylsilane
SMILESBrC1=CCCc2ccc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)cc21
InChIInChI=1S/C28H23BrSi/c29-28-18-10-11-22-19-20-26(21-27(22)28)30(23-12-4-1-5-13-23,24-14-6-2-7-15-24)25-16-8-3-9-17-25/h1-9,12-21H,10-11H2
InChIKeyPYZBMCHYOXJRKO-UHFFFAOYSA-N
MW467.48 g/mol
LogP4.75
Rot. Bonds4

About (8-bromo-5,6-dihydronaphthalen-2-yl)-triphenylsilane

(8-bromo-5,6-dihydronaphthalen-2-yl)-triphenylsilane (PubChem CID 71446280) has the molecular formula C28H23BrSi and a molecular weight of 467.48 g/mol. Its IUPAC name is (8-bromo-5,6-dihydronaphthalen-2-yl)-triphenylsilane.

Molecular Properties

Compound Name(8-bromo-5,6-dihydronaphthalen-2-yl)-triphenylsilane
PubChem CID71446280
Molecular FormulaC28H23BrSi
Molecular Weight467.48 g/mol
Exact Mass466.08
IUPAC Name(8-bromo-5,6-dihydronaphthalen-2-yl)-triphenylsilane
SMILESBrC1=CCCc2ccc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)cc21
InChIInChI=1S/C28H23BrSi/c29-28-18-10-11-22-19-20-26(21-27(22)28)30(23-12-4-1-5-13-23,24-14-6-2-7-15-24)25-16-8-3-9-17-25/h1-9,12-21H,10-11H2
InChIKeyPYZBMCHYOXJRKO-UHFFFAOYSA-N
XLogP4.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.48
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (8-bromo-5,6-dihydronaphthalen-2-yl)-triphenylsilane?
The IUPAC name of (8-bromo-5,6-dihydronaphthalen-2-yl)-triphenylsilane (CID 71446280) is (8-bromo-5,6-dihydronaphthalen-2-yl)-triphenylsilane.
What is the SMILES notation for (8-bromo-5,6-dihydronaphthalen-2-yl)-triphenylsilane?
The canonical SMILES for (8-bromo-5,6-dihydronaphthalen-2-yl)-triphenylsilane is BrC1=CCCc2ccc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)cc21.
What is the InChIKey of (8-bromo-5,6-dihydronaphthalen-2-yl)-triphenylsilane?
The InChIKey is PYZBMCHYOXJRKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23BrSi/c29-28-18-10-11-22-19-20-26(21-27(22)28)30(23-12-4-1-5-13-23,24-14-6-2-7-15-24)25-16-8-3-9-17-25/h1-9,12-21H,10-11H2.
What are the key properties of (8-bromo-5,6-dihydronaphthalen-2-yl)-triphenylsilane?
(8-bromo-5,6-dihydronaphthalen-2-yl)-triphenylsilane has a molecular weight of 467.48 g/mol, XLogP of 4.75, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (8-bromo-5,6-dihydronaphthalen-2-yl)-triphenylsilane is sourced from PubChem (CID 71446280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).