trimethyl-[2-[10-(2-trimethylsilylethynyl)anthracen-9-yl]ethynyl]silane

C24H26Si2 — CID 4176729

IUPACtrimethyl-[2-[10-(2-trimethylsilylethynyl)anthracen-9-yl]ethynyl]silane
SMILESC[Si](C)(C)C#Cc1c2ccccc2c(C#C[Si](C)(C)C)c2ccccc12
InChIInChI=1S/C24H26Si2/c1-25(2,3)17-15-23-19-11-7-9-13-21(19)24(16-18-26(4,5)6)22-14-10-8-12-20(22)23/h7-14H,1-6H3
InChIKeyXJMULQBEYKPFGJ-UHFFFAOYSA-N
MW370.64 g/mol
LogP6.45
Rot. Bonds

About trimethyl-[2-[10-(2-trimethylsilylethynyl)anthracen-9-yl]ethynyl]silane

trimethyl-[2-[10-(2-trimethylsilylethynyl)anthracen-9-yl]ethynyl]silane (PubChem CID 4176729) has the molecular formula C24H26Si2 and a molecular weight of 370.64 g/mol. Its IUPAC name is trimethyl-[2-[10-(2-trimethylsilylethynyl)anthracen-9-yl]ethynyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-[10-(2-trimethylsilylethynyl)anthracen-9-yl]ethynyl]silane
PubChem CID4176729
Molecular FormulaC24H26Si2
Molecular Weight370.64 g/mol
Exact Mass370.16
IUPAC Nametrimethyl-[2-[10-(2-trimethylsilylethynyl)anthracen-9-yl]ethynyl]silane
SMILESC[Si](C)(C)C#Cc1c2ccccc2c(C#C[Si](C)(C)C)c2ccccc12
InChIInChI=1S/C24H26Si2/c1-25(2,3)17-15-23-19-11-7-9-13-21(19)24(16-18-26(4,5)6)22-14-10-8-12-20(22)23/h7-14H,1-6H3
InChIKeyXJMULQBEYKPFGJ-UHFFFAOYSA-N
XLogP6.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.64
LogP ≤ 56.45
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 trimethyl-[2-[10-(2-trimethylsilylethynyl)anthracen-9-yl]ethynyl]silane?
The IUPAC name of trimethyl-[2-[10-(2-trimethylsilylethynyl)anthracen-9-yl]ethynyl]silane (CID 4176729) is trimethyl-[2-[10-(2-trimethylsilylethynyl)anthracen-9-yl]ethynyl]silane.
What is the SMILES notation for trimethyl-[2-[10-(2-trimethylsilylethynyl)anthracen-9-yl]ethynyl]silane?
The canonical SMILES for trimethyl-[2-[10-(2-trimethylsilylethynyl)anthracen-9-yl]ethynyl]silane is C[Si](C)(C)C#Cc1c2ccccc2c(C#C[Si](C)(C)C)c2ccccc12.
What is the InChIKey of trimethyl-[2-[10-(2-trimethylsilylethynyl)anthracen-9-yl]ethynyl]silane?
The InChIKey is XJMULQBEYKPFGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26Si2/c1-25(2,3)17-15-23-19-11-7-9-13-21(19)24(16-18-26(4,5)6)22-14-10-8-12-20(22)23/h7-14H,1-6H3.
What are the key properties of trimethyl-[2-[10-(2-trimethylsilylethynyl)anthracen-9-yl]ethynyl]silane?
trimethyl-[2-[10-(2-trimethylsilylethynyl)anthracen-9-yl]ethynyl]silane has a molecular weight of 370.64 g/mol, XLogP of 6.45, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[10-(2-trimethylsilylethynyl)anthracen-9-yl]ethynyl]silane is sourced from PubChem (CID 4176729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).