2-[3,7-dibromo-6-(2-trimethylsilylethynyl)anthracen-2-yl]ethynyl-trimethylsilane

C24H24Br2Si2 — CID 71486230

IUPAC2-[3,7-dibromo-6-(2-trimethylsilylethynyl)anthracen-2-yl]ethynyl-trimethylsilane
SMILESC[Si](C)(C)C#Cc1cc2cc3cc(Br)c(C#C[Si](C)(C)C)cc3cc2cc1Br
InChIInChI=1S/C24H24Br2Si2/c1-27(2,3)9-7-17-11-19-13-22-16-24(26)18(8-10-28(4,5)6)12-20(22)14-21(19)15-23(17)25/h11-16H,1-6H3
InChIKeyWNQMKWQXLWFYRO-UHFFFAOYSA-N
MW528.44 g/mol
LogP7.98
Rot. Bonds

About 2-[3,7-dibromo-6-(2-trimethylsilylethynyl)anthracen-2-yl]ethynyl-trimethylsilane

2-[3,7-dibromo-6-(2-trimethylsilylethynyl)anthracen-2-yl]ethynyl-trimethylsilane (PubChem CID 71486230) has the molecular formula C24H24Br2Si2 and a molecular weight of 528.44 g/mol. Its IUPAC name is 2-[3,7-dibromo-6-(2-trimethylsilylethynyl)anthracen-2-yl]ethynyl-trimethylsilane.

Molecular Properties

Compound Name2-[3,7-dibromo-6-(2-trimethylsilylethynyl)anthracen-2-yl]ethynyl-trimethylsilane
PubChem CID71486230
Molecular FormulaC24H24Br2Si2
Molecular Weight528.44 g/mol
Exact Mass525.98
IUPAC Name2-[3,7-dibromo-6-(2-trimethylsilylethynyl)anthracen-2-yl]ethynyl-trimethylsilane
SMILESC[Si](C)(C)C#Cc1cc2cc3cc(Br)c(C#C[Si](C)(C)C)cc3cc2cc1Br
InChIInChI=1S/C24H24Br2Si2/c1-27(2,3)9-7-17-11-19-13-22-16-24(26)18(8-10-28(4,5)6)12-20(22)14-21(19)15-23(17)25/h11-16H,1-6H3
InChIKeyWNQMKWQXLWFYRO-UHFFFAOYSA-N
XLogP7.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.44
LogP ≤ 57.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3,7-dibromo-6-(2-trimethylsilylethynyl)anthracen-2-yl]ethynyl-trimethylsilane?
The IUPAC name of 2-[3,7-dibromo-6-(2-trimethylsilylethynyl)anthracen-2-yl]ethynyl-trimethylsilane (CID 71486230) is 2-[3,7-dibromo-6-(2-trimethylsilylethynyl)anthracen-2-yl]ethynyl-trimethylsilane.
What is the SMILES notation for 2-[3,7-dibromo-6-(2-trimethylsilylethynyl)anthracen-2-yl]ethynyl-trimethylsilane?
The canonical SMILES for 2-[3,7-dibromo-6-(2-trimethylsilylethynyl)anthracen-2-yl]ethynyl-trimethylsilane is C[Si](C)(C)C#Cc1cc2cc3cc(Br)c(C#C[Si](C)(C)C)cc3cc2cc1Br.
What is the InChIKey of 2-[3,7-dibromo-6-(2-trimethylsilylethynyl)anthracen-2-yl]ethynyl-trimethylsilane?
The InChIKey is WNQMKWQXLWFYRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24Br2Si2/c1-27(2,3)9-7-17-11-19-13-22-16-24(26)18(8-10-28(4,5)6)12-20(22)14-21(19)15-23(17)25/h11-16H,1-6H3.
What are the key properties of 2-[3,7-dibromo-6-(2-trimethylsilylethynyl)anthracen-2-yl]ethynyl-trimethylsilane?
2-[3,7-dibromo-6-(2-trimethylsilylethynyl)anthracen-2-yl]ethynyl-trimethylsilane has a molecular weight of 528.44 g/mol, XLogP of 7.98, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,7-dibromo-6-(2-trimethylsilylethynyl)anthracen-2-yl]ethynyl-trimethylsilane is sourced from PubChem (CID 71486230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).