bis[2-(3-ethynylphenyl)ethynyl]-phenylsilane

C26H16Si — CID 71349412

IUPACbis[2-(3-ethynylphenyl)ethynyl]-phenylsilane
SMILESC#Cc1cccc(C#C[SiH](C#Cc2cccc(C#C)c2)c2ccccc2)c1
InChIInChI=1S/C26H16Si/c1-3-22-10-8-12-24(20-22)16-18-27(26-14-6-5-7-15-26)19-17-25-13-9-11-23(4-2)21-25/h1-2,5-15,20-21,27H
InChIKeyUSXQYFOPFMQULU-UHFFFAOYSA-N
MW356.50 g/mol
LogP3.27
Rot. Bonds1

About bis[2-(3-ethynylphenyl)ethynyl]-phenylsilane

bis[2-(3-ethynylphenyl)ethynyl]-phenylsilane (PubChem CID 71349412) has the molecular formula C26H16Si and a molecular weight of 356.50 g/mol. Its IUPAC name is bis[2-(3-ethynylphenyl)ethynyl]-phenylsilane.

Molecular Properties

Compound Namebis[2-(3-ethynylphenyl)ethynyl]-phenylsilane
PubChem CID71349412
Molecular FormulaC26H16Si
Molecular Weight356.50 g/mol
Exact Mass356.10
IUPAC Namebis[2-(3-ethynylphenyl)ethynyl]-phenylsilane
SMILESC#Cc1cccc(C#C[SiH](C#Cc2cccc(C#C)c2)c2ccccc2)c1
InChIInChI=1S/C26H16Si/c1-3-22-10-8-12-24(20-22)16-18-27(26-14-6-5-7-15-26)19-17-25-13-9-11-23(4-2)21-25/h1-2,5-15,20-21,27H
InChIKeyUSXQYFOPFMQULU-UHFFFAOYSA-N
XLogP3.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.50
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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

(1,2-13C2)ethynylbenzene
CID 71309164
3,5-bis[2-(3-ethynylphenyl)ethynyl]pyridine
CID 15911031
ethynylbenzene fluoride
CID 139243604
cobalt;ethynylbenzene
CID 174831642
ethynylbenzene;stibane
CID 175292724
1-ethynyl-3-ethynylbenzene
CID 102097172
ethynylbenzene;molecular nitrogen
CID 174932310
4-ethynyl-2-[2-[4-hydroxy-3-(2-phenylethynyl)phenyl]ethynyl]phenol
CID 59887147
3-(1,2-13C2)ethynyl(13C2)aniline
CID 71308909
ethylbenzene;1-ethyl-3-ethynylbenzene;propane
CID 171552337
3-ethynylbenzoic acid
CID 15897047
1-ethynyl-3-(3-ethynylphenoxy)benzene
CID 22494552

Frequently Asked Questions

What is the IUPAC name of bis[2-(3-ethynylphenyl)ethynyl]-phenylsilane?
The IUPAC name of bis[2-(3-ethynylphenyl)ethynyl]-phenylsilane (CID 71349412) is bis[2-(3-ethynylphenyl)ethynyl]-phenylsilane.
What is the SMILES notation for bis[2-(3-ethynylphenyl)ethynyl]-phenylsilane?
The canonical SMILES for bis[2-(3-ethynylphenyl)ethynyl]-phenylsilane is C#Cc1cccc(C#C[SiH](C#Cc2cccc(C#C)c2)c2ccccc2)c1.
What is the InChIKey of bis[2-(3-ethynylphenyl)ethynyl]-phenylsilane?
The InChIKey is USXQYFOPFMQULU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16Si/c1-3-22-10-8-12-24(20-22)16-18-27(26-14-6-5-7-15-26)19-17-25-13-9-11-23(4-2)21-25/h1-2,5-15,20-21,27H.
What are the key properties of bis[2-(3-ethynylphenyl)ethynyl]-phenylsilane?
bis[2-(3-ethynylphenyl)ethynyl]-phenylsilane has a molecular weight of 356.50 g/mol, XLogP of 3.27, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2-(3-ethynylphenyl)ethynyl]-phenylsilane is sourced from PubChem (CID 71349412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).