trilithium;trimethyl(2-phenylethynyl)silane;trimethyl(2-phenylethynyl)silane;trimethyl(2-phenylethynyl)silane

C33H39Li3Si3 — CID 158904299

IUPACtrilithium;trimethyl(2-phenylethynyl)silane;trimethyl(2-phenylethynyl)silane;trimethyl(2-phenylethynyl)silane
SMILESC[Si](C)(C)C#Cc1[c-]cccc1.C[Si](C)(C)C#Cc1c[c-]ccc1.C[Si](C)(C)C#Cc1cc[c-]cc1.[Li+].[Li+].[Li+]
InChIInChI=1S/3C11H13Si.3Li/c3*1-12(2,3)10-9-11-7-5-4-6-8-11;;;/h5-8H,1-3H3;4-5,7-8H,1-3H3;4-7H,1-3H3;;;/q3*-1;3*+1
InChIKeyJNRSUZOJKFIZLG-UHFFFAOYSA-N
MW540.76 g/mol
LogP-0.84
Rot. Bonds

About trilithium;trimethyl(2-phenylethynyl)silane;trimethyl(2-phenylethynyl)silane;trimethyl(2-phenylethynyl)silane

trilithium;trimethyl(2-phenylethynyl)silane;trimethyl(2-phenylethynyl)silane;trimethyl(2-phenylethynyl)silane (PubChem CID 158904299) has the molecular formula C33H39Li3Si3 and a molecular weight of 540.76 g/mol. Its IUPAC name is trilithium;trimethyl(2-phenylethynyl)silane;trimethyl(2-phenylethynyl)silane;trimethyl(2-phenylethynyl)silane.

Molecular Properties

Compound Nametrilithium;trimethyl(2-phenylethynyl)silane;trimethyl(2-phenylethynyl)silane;trimethyl(2-phenylethynyl)silane
PubChem CID158904299
Molecular FormulaC33H39Li3Si3
Molecular Weight540.76 g/mol
Exact Mass540.28
IUPAC Nametrilithium;trimethyl(2-phenylethynyl)silane;trimethyl(2-phenylethynyl)silane;trimethyl(2-phenylethynyl)silane
SMILESC[Si](C)(C)C#Cc1[c-]cccc1.C[Si](C)(C)C#Cc1c[c-]ccc1.C[Si](C)(C)C#Cc1cc[c-]cc1.[Li+].[Li+].[Li+]
InChIInChI=1S/3C11H13Si.3Li/c3*1-12(2,3)10-9-11-7-5-4-6-8-11;;;/h5-8H,1-3H3;4-5,7-8H,1-3H3;4-7H,1-3H3;;;/q3*-1;3*+1
InChIKeyJNRSUZOJKFIZLG-UHFFFAOYSA-N
XLogP-0.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500540.76
LogP ≤ 5-0.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

[3-[4-[1,5-Bis(trimethylsilyl)penta-1,4-diyn-3-ylidene]cyclohexa-2,5-dien-1-ylidene]-5-trimethylsilylpenta-1,4-diynyl]-trimethylsilane
CID 15363836
Cobalt;cyclobutadiene;cyclopenta-1,3-diene;tetrakis(triethyl(2-phenylethynyl)silane)
CID 173303872
[(3E,5E)-3-[(E)-pent-1-enyl]-4-[2-tri(propan-2-yl)silylethynyl]nona-3,5-dien-1-ynyl]-tri(propan-2-yl)silane
CID 11670913
CID 102208560
CID 102208560
Trimethyl-[2-[16-(2-trimethylsilylethynyl)-4-pentacyclo[13.9.0.03,13.05,10.017,22]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaenyl]ethynyl]silane
CID 102362865
Lithium trimethyl-[2-[3-(2-trimethylsilylethynyl)benzene-5-id-1-yl]ethynyl]silane
CID 177506343

Frequently Asked Questions

What is the IUPAC name of trilithium;trimethyl(2-phenylethynyl)silane;trimethyl(2-phenylethynyl)silane;trimethyl(2-phenylethynyl)silane?
The IUPAC name of trilithium;trimethyl(2-phenylethynyl)silane;trimethyl(2-phenylethynyl)silane;trimethyl(2-phenylethynyl)silane (CID 158904299) is trilithium;trimethyl(2-phenylethynyl)silane;trimethyl(2-phenylethynyl)silane;trimethyl(2-phenylethynyl)silane.
What is the SMILES notation for trilithium;trimethyl(2-phenylethynyl)silane;trimethyl(2-phenylethynyl)silane;trimethyl(2-phenylethynyl)silane?
The canonical SMILES for trilithium;trimethyl(2-phenylethynyl)silane;trimethyl(2-phenylethynyl)silane;trimethyl(2-phenylethynyl)silane is C[Si](C)(C)C#Cc1[c-]cccc1.C[Si](C)(C)C#Cc1c[c-]ccc1.C[Si](C)(C)C#Cc1cc[c-]cc1.[Li+].[Li+].[Li+].
What is the InChIKey of trilithium;trimethyl(2-phenylethynyl)silane;trimethyl(2-phenylethynyl)silane;trimethyl(2-phenylethynyl)silane?
The InChIKey is JNRSUZOJKFIZLG-UHFFFAOYSA-N. The full InChI is InChI=1S/3C11H13Si.3Li/c3*1-12(2,3)10-9-11-7-5-4-6-8-11;;;/h5-8H,1-3H3;4-5,7-8H,1-3H3;4-7H,1-3H3;;;/q3*-1;3*+1.
What are the key properties of trilithium;trimethyl(2-phenylethynyl)silane;trimethyl(2-phenylethynyl)silane;trimethyl(2-phenylethynyl)silane?
trilithium;trimethyl(2-phenylethynyl)silane;trimethyl(2-phenylethynyl)silane;trimethyl(2-phenylethynyl)silane has a molecular weight of 540.76 g/mol, XLogP of -0.84, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trilithium;trimethyl(2-phenylethynyl)silane;trimethyl(2-phenylethynyl)silane;trimethyl(2-phenylethynyl)silane is sourced from PubChem (CID 158904299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).