trimethyl-[2-(1,10-phenanthrolin-4-yl)ethynyl]silane

C17H16N2Si — CID 102575397

IUPACtrimethyl-[2-(1,10-phenanthrolin-4-yl)ethynyl]silane
SMILESC[Si](C)(C)C#Cc1ccnc2c1ccc1cccnc12
InChIInChI=1S/C17H16N2Si/c1-20(2,3)12-9-13-8-11-19-17-15(13)7-6-14-5-4-10-18-16(14)17/h4-8,10-11H,1-3H3
InChIKeyNOHJWCLKUDGOEL-UHFFFAOYSA-N
MW276.41 g/mol
LogP4.01
Rot. Bonds

About trimethyl-[2-(1,10-phenanthrolin-4-yl)ethynyl]silane

trimethyl-[2-(1,10-phenanthrolin-4-yl)ethynyl]silane (PubChem CID 102575397) has the molecular formula C17H16N2Si and a molecular weight of 276.41 g/mol. Its IUPAC name is trimethyl-[2-(1,10-phenanthrolin-4-yl)ethynyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-(1,10-phenanthrolin-4-yl)ethynyl]silane
PubChem CID102575397
Molecular FormulaC17H16N2Si
Molecular Weight276.41 g/mol
Exact Mass276.11
IUPAC Nametrimethyl-[2-(1,10-phenanthrolin-4-yl)ethynyl]silane
SMILESC[Si](C)(C)C#Cc1ccnc2c1ccc1cccnc12
InChIInChI=1S/C17H16N2Si/c1-20(2,3)12-9-13-8-11-19-17-15(13)7-6-14-5-4-10-18-16(14)17/h4-8,10-11H,1-3H3
InChIKeyNOHJWCLKUDGOEL-UHFFFAOYSA-N
XLogP4.01
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

bis(1,10-phenanthroline);dihydrobromide
CID 70430219
1,10-phenanthroline;samarium
CID 174616745
osmium;tris(1,10-phenanthroline)
CID 14251798
iridium(3+);1,10-phenanthroline
CID 175702049
CID 58385596
CID 58385596
europium;1,10-phenanthroline
CID 20606755
bis(1,10-phenanthroline);ruthenium
CID 15001085
N-methyl-1,10-phenanthrolin-4-amine;bis(1,10-phenanthroline);ruthenium
CID 140567742
bis(cadmium(2+));bis(chromium(6+));octakis(oxygen(2-));tetrakis(1,10-phenanthroline);dihydrate
CID 139076364
trimethyl(2-quinolin-7-ylethynyl)silane
CID 18931459
diiodo(dimethyl)stannane;1,10-phenanthroline
CID 4611650
5-ethynyl-1,10-phenanthroline
CID 10703368

Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-(1,10-phenanthrolin-4-yl)ethynyl]silane?
The IUPAC name of trimethyl-[2-(1,10-phenanthrolin-4-yl)ethynyl]silane (CID 102575397) is trimethyl-[2-(1,10-phenanthrolin-4-yl)ethynyl]silane.
What is the SMILES notation for trimethyl-[2-(1,10-phenanthrolin-4-yl)ethynyl]silane?
The canonical SMILES for trimethyl-[2-(1,10-phenanthrolin-4-yl)ethynyl]silane is C[Si](C)(C)C#Cc1ccnc2c1ccc1cccnc12.
What is the InChIKey of trimethyl-[2-(1,10-phenanthrolin-4-yl)ethynyl]silane?
The InChIKey is NOHJWCLKUDGOEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2Si/c1-20(2,3)12-9-13-8-11-19-17-15(13)7-6-14-5-4-10-18-16(14)17/h4-8,10-11H,1-3H3.
What are the key properties of trimethyl-[2-(1,10-phenanthrolin-4-yl)ethynyl]silane?
trimethyl-[2-(1,10-phenanthrolin-4-yl)ethynyl]silane has a molecular weight of 276.41 g/mol, XLogP of 4.01, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-(1,10-phenanthrolin-4-yl)ethynyl]silane is sourced from PubChem (CID 102575397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).