9-(2-trimethylsilylethynyl)acridine-1,4-dione

C18H15NO2Si — CID 639598

IUPAC9-(2-trimethylsilylethynyl)acridine-1,4-dione
SMILESC[Si](C)(C)C#Cc1c2c(nc3ccccc13)C(=O)C=CC2=O
InChIInChI=1S/C18H15NO2Si/c1-22(2,3)11-10-13-12-6-4-5-7-14(12)19-18-16(21)9-8-15(20)17(13)18/h4-9H,1-3H3
InChIKeyKUSSGTHCQRWTOF-UHFFFAOYSA-N
MW305.41 g/mol
LogP3.40
Rot. Bonds

About 9-(2-trimethylsilylethynyl)acridine-1,4-dione

9-(2-trimethylsilylethynyl)acridine-1,4-dione (PubChem CID 639598) has the molecular formula C18H15NO2Si and a molecular weight of 305.41 g/mol. Its IUPAC name is 9-(2-trimethylsilylethynyl)acridine-1,4-dione.

Molecular Properties

Compound Name9-(2-trimethylsilylethynyl)acridine-1,4-dione
PubChem CID639598
Molecular FormulaC18H15NO2Si
Molecular Weight305.41 g/mol
Exact Mass305.09
IUPAC Name9-(2-trimethylsilylethynyl)acridine-1,4-dione
SMILESC[Si](C)(C)C#Cc1c2c(nc3ccccc13)C(=O)C=CC2=O
InChIInChI=1S/C18H15NO2Si/c1-22(2,3)11-10-13-12-6-4-5-7-14(12)19-18-16(21)9-8-15(20)17(13)18/h4-9H,1-3H3
InChIKeyKUSSGTHCQRWTOF-UHFFFAOYSA-N
XLogP3.40
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.41
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', '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
9-phenoxyacridine-1,4-dione
CID 102027445
[1-(2-trimethylsilylethynyl)naphthalen-2-yl]methanol
CID 15355674
trimethyl(2-phenanthren-2-ylethynyl)silane
CID 131953552
cyclopenta[c]quinolin-1-one
CID 145005244
2-(trideuteriomethyl)-3,1-benzoxazin-4-one
CID 71312753
2-benzyl-3-(2-trimethylsilylethynyl)isoquinolin-1-one
CID 66883215
methyl 10-oxo-8,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,11,13,15-octaene-15-carboxylate
CID 102432124
trimethyl-[2-[2-(2-phenylethynyl)cyclobuta-1,3-dien-1-yl]ethynyl]silane
CID 11079621
trimethyl(2-naphthalen-2-ylethynyl)silane
CID 12579656
2-(4-dimethylsilylphenyl)ethynyl-trimethylsilane
CID 71381536
trimethyl-[2-[1-methyl-13-(2-trimethylsilylethynyl)pentacen-6-yl]ethynyl]silane
CID 59775484

Frequently Asked Questions

What is the IUPAC name of 9-(2-trimethylsilylethynyl)acridine-1,4-dione?
The IUPAC name of 9-(2-trimethylsilylethynyl)acridine-1,4-dione (CID 639598) is 9-(2-trimethylsilylethynyl)acridine-1,4-dione.
What is the SMILES notation for 9-(2-trimethylsilylethynyl)acridine-1,4-dione?
The canonical SMILES for 9-(2-trimethylsilylethynyl)acridine-1,4-dione is C[Si](C)(C)C#Cc1c2c(nc3ccccc13)C(=O)C=CC2=O.
What is the InChIKey of 9-(2-trimethylsilylethynyl)acridine-1,4-dione?
The InChIKey is KUSSGTHCQRWTOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO2Si/c1-22(2,3)11-10-13-12-6-4-5-7-14(12)19-18-16(21)9-8-15(20)17(13)18/h4-9H,1-3H3.
What are the key properties of 9-(2-trimethylsilylethynyl)acridine-1,4-dione?
9-(2-trimethylsilylethynyl)acridine-1,4-dione has a molecular weight of 305.41 g/mol, XLogP of 3.40, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-trimethylsilylethynyl)acridine-1,4-dione is sourced from PubChem (CID 639598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).