tetrakis[2-(2,4-dichlorophenyl)ethynyl]silane

C32H12Cl8Si — CID 154699158

IUPACtetrakis[2-(2,4-dichlorophenyl)ethynyl]silane
SMILESClc1ccc(C#C[Si](C#Cc2ccc(Cl)cc2Cl)(C#Cc2ccc(Cl)cc2Cl)C#Cc2ccc(Cl)cc2Cl)c(Cl)c1
InChIInChI=1S/C32H12Cl8Si/c33-25-5-1-21(29(37)17-25)9-13-41(14-10-22-2-6-26(34)18-30(22)38,15-11-23-3-7-27(35)19-31(23)39)16-12-24-4-8-28(36)20-32(24)40/h1-8,17-20H
InChIKeyLYEGNVNRMNZBOR-UHFFFAOYSA-N
MW708.16 g/mol
LogP11.03
Rot. Bonds

About tetrakis[2-(2,4-dichlorophenyl)ethynyl]silane

tetrakis[2-(2,4-dichlorophenyl)ethynyl]silane (PubChem CID 154699158) has the molecular formula C32H12Cl8Si and a molecular weight of 708.16 g/mol. Its IUPAC name is tetrakis[2-(2,4-dichlorophenyl)ethynyl]silane.

Molecular Properties

Compound Nametetrakis[2-(2,4-dichlorophenyl)ethynyl]silane
PubChem CID154699158
Molecular FormulaC32H12Cl8Si
Molecular Weight708.16 g/mol
Exact Mass703.82
IUPAC Nametetrakis[2-(2,4-dichlorophenyl)ethynyl]silane
SMILESClc1ccc(C#C[Si](C#Cc2ccc(Cl)cc2Cl)(C#Cc2ccc(Cl)cc2Cl)C#Cc2ccc(Cl)cc2Cl)c(Cl)c1
InChIInChI=1S/C32H12Cl8Si/c33-25-5-1-21(29(37)17-25)9-13-41(14-10-22-2-6-26(34)18-30(22)38,15-11-23-3-7-27(35)19-31(23)39)16-12-24-4-8-28(36)20-32(24)40/h1-8,17-20H
InChIKeyLYEGNVNRMNZBOR-UHFFFAOYSA-N
XLogP11.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500708.16
LogP ≤ 511.03
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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Frequently Asked Questions

What is the IUPAC name of tetrakis[2-(2,4-dichlorophenyl)ethynyl]silane?
The IUPAC name of tetrakis[2-(2,4-dichlorophenyl)ethynyl]silane (CID 154699158) is tetrakis[2-(2,4-dichlorophenyl)ethynyl]silane.
What is the SMILES notation for tetrakis[2-(2,4-dichlorophenyl)ethynyl]silane?
The canonical SMILES for tetrakis[2-(2,4-dichlorophenyl)ethynyl]silane is Clc1ccc(C#C[Si](C#Cc2ccc(Cl)cc2Cl)(C#Cc2ccc(Cl)cc2Cl)C#Cc2ccc(Cl)cc2Cl)c(Cl)c1.
What is the InChIKey of tetrakis[2-(2,4-dichlorophenyl)ethynyl]silane?
The InChIKey is LYEGNVNRMNZBOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H12Cl8Si/c33-25-5-1-21(29(37)17-25)9-13-41(14-10-22-2-6-26(34)18-30(22)38,15-11-23-3-7-27(35)19-31(23)39)16-12-24-4-8-28(36)20-32(24)40/h1-8,17-20H.
What are the key properties of tetrakis[2-(2,4-dichlorophenyl)ethynyl]silane?
tetrakis[2-(2,4-dichlorophenyl)ethynyl]silane has a molecular weight of 708.16 g/mol, XLogP of 11.03, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis[2-(2,4-dichlorophenyl)ethynyl]silane is sourced from PubChem (CID 154699158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).