2-(10-methylanthracen-9-yl)ethynyl-triphenylsilane

C35H26Si — CID 174067444

IUPAC2-(10-methylanthracen-9-yl)ethynyl-triphenylsilane
SMILESCc1c2ccccc2c(C#C[Si](c2ccccc2)(c2ccccc2)c2ccccc2)c2ccccc12
InChIInChI=1S/C35H26Si/c1-27-31-21-11-13-23-33(31)35(34-24-14-12-22-32(27)34)25-26-36(28-15-5-2-6-16-28,29-17-7-3-8-18-29)30-19-9-4-10-20-30/h2-24H,1H3
InChIKeyVHKDKPQGHUFRLB-UHFFFAOYSA-N
MW474.68 g/mol
LogP6.36
Rot. Bonds3

About 2-(10-methylanthracen-9-yl)ethynyl-triphenylsilane

2-(10-methylanthracen-9-yl)ethynyl-triphenylsilane (PubChem CID 174067444) has the molecular formula C35H26Si and a molecular weight of 474.68 g/mol. Its IUPAC name is 2-(10-methylanthracen-9-yl)ethynyl-triphenylsilane.

Molecular Properties

Compound Name2-(10-methylanthracen-9-yl)ethynyl-triphenylsilane
PubChem CID174067444
Molecular FormulaC35H26Si
Molecular Weight474.68 g/mol
Exact Mass474.18
IUPAC Name2-(10-methylanthracen-9-yl)ethynyl-triphenylsilane
SMILESCc1c2ccccc2c(C#C[Si](c2ccccc2)(c2ccccc2)c2ccccc2)c2ccccc12
InChIInChI=1S/C35H26Si/c1-27-31-21-11-13-23-33(31)35(34-24-14-12-22-32(27)34)25-26-36(28-15-5-2-6-16-28,29-17-7-3-8-18-29)30-19-9-4-10-20-30/h2-24H,1H3
InChIKeyVHKDKPQGHUFRLB-UHFFFAOYSA-N
XLogP6.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.68
LogP ≤ 56.36
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': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(10-methylanthracen-9-yl)ethynyl-triphenylsilane?
The IUPAC name of 2-(10-methylanthracen-9-yl)ethynyl-triphenylsilane (CID 174067444) is 2-(10-methylanthracen-9-yl)ethynyl-triphenylsilane.
What is the SMILES notation for 2-(10-methylanthracen-9-yl)ethynyl-triphenylsilane?
The canonical SMILES for 2-(10-methylanthracen-9-yl)ethynyl-triphenylsilane is Cc1c2ccccc2c(C#C[Si](c2ccccc2)(c2ccccc2)c2ccccc2)c2ccccc12.
What is the InChIKey of 2-(10-methylanthracen-9-yl)ethynyl-triphenylsilane?
The InChIKey is VHKDKPQGHUFRLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H26Si/c1-27-31-21-11-13-23-33(31)35(34-24-14-12-22-32(27)34)25-26-36(28-15-5-2-6-16-28,29-17-7-3-8-18-29)30-19-9-4-10-20-30/h2-24H,1H3.
What are the key properties of 2-(10-methylanthracen-9-yl)ethynyl-triphenylsilane?
2-(10-methylanthracen-9-yl)ethynyl-triphenylsilane has a molecular weight of 474.68 g/mol, XLogP of 6.36, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(10-methylanthracen-9-yl)ethynyl-triphenylsilane is sourced from PubChem (CID 174067444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).