10-(2-trimethylsilylethynyl)anthracene-9-carbonitrile

C20H17NSi — CID 86230221

IUPAC10-(2-trimethylsilylethynyl)anthracene-9-carbonitrile
SMILESC[Si](C)(C)C#Cc1c2ccccc2c(C#N)c2ccccc12
InChIInChI=1S/C20H17NSi/c1-22(2,3)13-12-19-15-8-4-6-10-17(15)20(14-21)18-11-7-5-9-16(18)19/h4-11H,1-3H3
InChIKeyVFBQAVVJNNTBDE-UHFFFAOYSA-N
MW299.45 g/mol
LogP5.09
Rot. Bonds

About 10-(2-trimethylsilylethynyl)anthracene-9-carbonitrile

10-(2-trimethylsilylethynyl)anthracene-9-carbonitrile (PubChem CID 86230221) has the molecular formula C20H17NSi and a molecular weight of 299.45 g/mol. Its IUPAC name is 10-(2-trimethylsilylethynyl)anthracene-9-carbonitrile.

Molecular Properties

Compound Name10-(2-trimethylsilylethynyl)anthracene-9-carbonitrile
PubChem CID86230221
Molecular FormulaC20H17NSi
Molecular Weight299.45 g/mol
Exact Mass299.11
IUPAC Name10-(2-trimethylsilylethynyl)anthracene-9-carbonitrile
SMILESC[Si](C)(C)C#Cc1c2ccccc2c(C#N)c2ccccc12
InChIInChI=1S/C20H17NSi/c1-22(2,3)13-12-19-15-8-4-6-10-17(15)20(14-21)18-11-7-5-9-16(18)19/h4-11H,1-3H3
InChIKeyVFBQAVVJNNTBDE-UHFFFAOYSA-N
XLogP5.09
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.45
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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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Related Compounds

trimethyl-[2-[10,13,20-tris(2-trimethylsilylethynyl)-3-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2,4,6,8,10,12,14,16,18-decaenyl]ethynyl]silane
CID 102311843
10-methylanthracene-9-carbonitrile
CID 12617916
10-bromoanthracene-9-carbonitrile
CID 11543731
[1-(2-trimethylsilylethynyl)naphthalen-2-yl]methanol
CID 15355674
6-(2-trimethylsilylethynyl)pyridine-2-carbonitrile
CID 135049966
3-(2-trimethylsilylethynyl)benzonitrile
CID 22570318
trimethyl-[2-[1-methyl-13-(2-trimethylsilylethynyl)pentacen-6-yl]ethynyl]silane
CID 59775484
1-methylisoquinoline-3,4-dicarbonitrile
CID 89141379
CID 137295730
CID 137295730
2-(10-methylanthracen-9-yl)ethynyl-triphenylsilane
CID 174067444
4-[4-(2-trimethylsilylethynyl)phenyl]benzonitrile
CID 69484722
3-methyl-1-(2-oxoethylimino)isochromene-4-carbonitrile
CID 71776155

Frequently Asked Questions

What is the IUPAC name of 10-(2-trimethylsilylethynyl)anthracene-9-carbonitrile?
The IUPAC name of 10-(2-trimethylsilylethynyl)anthracene-9-carbonitrile (CID 86230221) is 10-(2-trimethylsilylethynyl)anthracene-9-carbonitrile.
What is the SMILES notation for 10-(2-trimethylsilylethynyl)anthracene-9-carbonitrile?
The canonical SMILES for 10-(2-trimethylsilylethynyl)anthracene-9-carbonitrile is C[Si](C)(C)C#Cc1c2ccccc2c(C#N)c2ccccc12.
What is the InChIKey of 10-(2-trimethylsilylethynyl)anthracene-9-carbonitrile?
The InChIKey is VFBQAVVJNNTBDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NSi/c1-22(2,3)13-12-19-15-8-4-6-10-17(15)20(14-21)18-11-7-5-9-16(18)19/h4-11H,1-3H3.
What are the key properties of 10-(2-trimethylsilylethynyl)anthracene-9-carbonitrile?
10-(2-trimethylsilylethynyl)anthracene-9-carbonitrile has a molecular weight of 299.45 g/mol, XLogP of 5.09, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(2-trimethylsilylethynyl)anthracene-9-carbonitrile is sourced from PubChem (CID 86230221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).