2-(4-methoxyphenyl)ethynyl-[2-[2-(4-methoxyphenyl)ethynyl]phenyl]-dimethylsilane

C26H24O2Si — CID 102153351

IUPAC2-(4-methoxyphenyl)ethynyl-[2-[2-(4-methoxyphenyl)ethynyl]phenyl]-dimethylsilane
SMILESCOc1ccc(C#Cc2ccccc2[Si](C)(C)C#Cc2ccc(OC)cc2)cc1
InChIInChI=1S/C26H24O2Si/c1-27-24-15-10-21(11-16-24)9-14-23-7-5-6-8-26(23)29(3,4)20-19-22-12-17-25(28-2)18-13-22/h5-8,10-13,15-18H,1-4H3
InChIKeyPCQMAJLOKPTVAJ-UHFFFAOYSA-N
MW396.56 g/mol
LogP4.61
Rot. Bonds3

About 2-(4-methoxyphenyl)ethynyl-[2-[2-(4-methoxyphenyl)ethynyl]phenyl]-dimethylsilane

2-(4-methoxyphenyl)ethynyl-[2-[2-(4-methoxyphenyl)ethynyl]phenyl]-dimethylsilane (PubChem CID 102153351) has the molecular formula C26H24O2Si and a molecular weight of 396.56 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)ethynyl-[2-[2-(4-methoxyphenyl)ethynyl]phenyl]-dimethylsilane.

Molecular Properties

Compound Name2-(4-methoxyphenyl)ethynyl-[2-[2-(4-methoxyphenyl)ethynyl]phenyl]-dimethylsilane
PubChem CID102153351
Molecular FormulaC26H24O2Si
Molecular Weight396.56 g/mol
Exact Mass396.15
IUPAC Name2-(4-methoxyphenyl)ethynyl-[2-[2-(4-methoxyphenyl)ethynyl]phenyl]-dimethylsilane
SMILESCOc1ccc(C#Cc2ccccc2[Si](C)(C)C#Cc2ccc(OC)cc2)cc1
InChIInChI=1S/C26H24O2Si/c1-27-24-15-10-21(11-16-24)9-14-23-7-5-6-8-26(23)29(3,4)20-19-22-12-17-25(28-2)18-13-22/h5-8,10-13,15-18H,1-4H3
InChIKeyPCQMAJLOKPTVAJ-UHFFFAOYSA-N
XLogP4.61
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.56
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

dimethyl-(2-phenylethynyl)-[2-(2-phenylethynyl)phenyl]silane
CID 15981524
bis[2-[4-[2-(4-methoxyphenyl)ethynyl]phenyl]ethynyl]-dimethylsilane
CID 101413036
2-[2-[2-[2-(4-methoxyphenyl)ethynyl]phenyl]ethynyl]benzonitrile
CID 71419198
[8-[dimethyl(2-phenylethynyl)silyl]naphthalen-1-yl]-dimethyl-(2-phenylethynyl)silane
CID 122374553
2-[2-(4-methoxyphenyl)ethynyl]benzenediazonium
CID 101251401
1-[2-(4-methoxyphenyl)ethynyl]anthracene
CID 12635754
1-[2-(4-methoxyphenyl)ethynyl]-2-nitrobenzene
CID 11288232
[2-[2-(4-methoxyphenyl)ethynyl]phenyl]-diphenylphosphane
CID 158970449
hydroxy-dimethyl-[2-(2-phenylethynyl)phenyl]silane
CID 102493191
2-(4-methoxyphenyl)ethynyl-triphenylphosphanium
CID 23415442
1-[2-[2-(4-methoxyphenyl)ethynyl]phenyl]-3-phenylprop-2-yn-1-one
CID 175236811
1-(cyclopropylidenemethyl)-2-[2-(4-methoxyphenyl)ethynyl]benzene
CID 135073387

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)ethynyl-[2-[2-(4-methoxyphenyl)ethynyl]phenyl]-dimethylsilane?
The IUPAC name of 2-(4-methoxyphenyl)ethynyl-[2-[2-(4-methoxyphenyl)ethynyl]phenyl]-dimethylsilane (CID 102153351) is 2-(4-methoxyphenyl)ethynyl-[2-[2-(4-methoxyphenyl)ethynyl]phenyl]-dimethylsilane.
What is the SMILES notation for 2-(4-methoxyphenyl)ethynyl-[2-[2-(4-methoxyphenyl)ethynyl]phenyl]-dimethylsilane?
The canonical SMILES for 2-(4-methoxyphenyl)ethynyl-[2-[2-(4-methoxyphenyl)ethynyl]phenyl]-dimethylsilane is COc1ccc(C#Cc2ccccc2[Si](C)(C)C#Cc2ccc(OC)cc2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)ethynyl-[2-[2-(4-methoxyphenyl)ethynyl]phenyl]-dimethylsilane?
The InChIKey is PCQMAJLOKPTVAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24O2Si/c1-27-24-15-10-21(11-16-24)9-14-23-7-5-6-8-26(23)29(3,4)20-19-22-12-17-25(28-2)18-13-22/h5-8,10-13,15-18H,1-4H3.
What are the key properties of 2-(4-methoxyphenyl)ethynyl-[2-[2-(4-methoxyphenyl)ethynyl]phenyl]-dimethylsilane?
2-(4-methoxyphenyl)ethynyl-[2-[2-(4-methoxyphenyl)ethynyl]phenyl]-dimethylsilane has a molecular weight of 396.56 g/mol, XLogP of 4.61, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)ethynyl-[2-[2-(4-methoxyphenyl)ethynyl]phenyl]-dimethylsilane is sourced from PubChem (CID 102153351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).