trimethyl(2-phenanthren-2-ylethynyl)silane

C19H18Si — CID 131953552

IUPACtrimethyl(2-phenanthren-2-ylethynyl)silane
SMILESC[Si](C)(C)C#Cc1ccc2c(ccc3ccccc32)c1
InChIInChI=1S/C19H18Si/c1-20(2,3)13-12-15-8-11-19-17(14-15)10-9-16-6-4-5-7-18(16)19/h4-11,14H,1-3H3
InChIKeyHTEAAVOOHGCMDJ-UHFFFAOYSA-N
MW274.44 g/mol
LogP5.22
Rot. Bonds

About trimethyl(2-phenanthren-2-ylethynyl)silane

trimethyl(2-phenanthren-2-ylethynyl)silane (PubChem CID 131953552) has the molecular formula C19H18Si and a molecular weight of 274.44 g/mol. Its IUPAC name is trimethyl(2-phenanthren-2-ylethynyl)silane.

Molecular Properties

Compound Nametrimethyl(2-phenanthren-2-ylethynyl)silane
PubChem CID131953552
Molecular FormulaC19H18Si
Molecular Weight274.44 g/mol
Exact Mass274.12
IUPAC Nametrimethyl(2-phenanthren-2-ylethynyl)silane
SMILESC[Si](C)(C)C#Cc1ccc2c(ccc3ccccc32)c1
InChIInChI=1S/C19H18Si/c1-20(2,3)13-12-15-8-11-19-17(14-15)10-9-16-6-4-5-7-18(16)19/h4-11,14H,1-3H3
InChIKeyHTEAAVOOHGCMDJ-UHFFFAOYSA-N
XLogP5.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.44
LogP ≤ 55.22
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_3', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

trimethyl(2-naphthalen-2-ylethynyl)silane
CID 12579656
2-chrysen-5-yl(1,2-13C2)ethynyl(trimethyl)silane
CID 66552882
1-[2-hydroxy-6-(2-trimethylsilylethynyl)naphthalen-1-yl]-6-(2-trimethylsilylethynyl)naphthalen-2-ol
CID 10939742
2-(12,24-dithiahexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,22-undecaen-7-yl)ethynyl-trimethylsilane
CID 177481423
trimethyl(2-quinolin-7-ylethynyl)silane
CID 18931459
2-methyl-4-(2-phenanthren-2-ylethynyl)-1H-pyrrole
CID 129041650
tri(propan-2-yl)-[2-[8-[2-tri(propan-2-yl)silylethynyl]chrysen-2-yl]ethynyl]silane
CID 58362242
tri(propan-2-yl)-[2-[20-[2-tri(propan-2-yl)silylethynyl]-7-hexacyclo[12.12.0.02,11.05,10.015,24.018,23]hexacosa-1(14),2(11),3,5(10),6,8,12,15(24),16,18(23),19,21,25-tridecaenyl]ethynyl]silane
CID 58410794
[1-(2-trimethylsilylethynyl)naphthalen-2-yl]methanol
CID 15355674
2-[7-[13-[9,10-dimethoxy-7-(2-trimethylsilylethynyl)phenanthren-2-yl]pentacen-6-yl]-9,10-dimethoxyphenanthren-2-yl]ethynyl-trimethylsilane
CID 162405850
2-phenanthridin-3-ylethynyl-tri(propan-2-yl)silane
CID 169268052
(1R)-1-naphthalen-1-yl-N-[[3-(2-trimethylsilylethynyl)phenyl]methyl]ethanamine
CID 59562929

Frequently Asked Questions

What is the IUPAC name of trimethyl(2-phenanthren-2-ylethynyl)silane?
The IUPAC name of trimethyl(2-phenanthren-2-ylethynyl)silane (CID 131953552) is trimethyl(2-phenanthren-2-ylethynyl)silane.
What is the SMILES notation for trimethyl(2-phenanthren-2-ylethynyl)silane?
The canonical SMILES for trimethyl(2-phenanthren-2-ylethynyl)silane is C[Si](C)(C)C#Cc1ccc2c(ccc3ccccc32)c1.
What is the InChIKey of trimethyl(2-phenanthren-2-ylethynyl)silane?
The InChIKey is HTEAAVOOHGCMDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Si/c1-20(2,3)13-12-15-8-11-19-17(14-15)10-9-16-6-4-5-7-18(16)19/h4-11,14H,1-3H3.
What are the key properties of trimethyl(2-phenanthren-2-ylethynyl)silane?
trimethyl(2-phenanthren-2-ylethynyl)silane has a molecular weight of 274.44 g/mol, XLogP of 5.22, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl(2-phenanthren-2-ylethynyl)silane is sourced from PubChem (CID 131953552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).