2,6-dimethylpyridine;nickel;bis(trimethyl(2-phenylethynyl)silane)

C29H37NNiSi2 — CID 15392712

IUPAC2,6-dimethylpyridine;nickel;bis(trimethyl(2-phenylethynyl)silane)
SMILESC[Si](C)(C)C#Cc1ccccc1.C[Si](C)(C)C#Cc1ccccc1.Cc1cccc(C)n1.[Ni]
InChIInChI=1S/2C11H14Si.C7H9N.Ni/c2*1-12(2,3)10-9-11-7-5-4-6-8-11;1-6-4-3-5-7(2)8-6;/h2*4-8H,1-3H3;3-5H,1-2H3;
InChIKeySDMZZYHUTNRWNI-UHFFFAOYSA-N
MW514.49 g/mol
LogP7.53
Rot. Bonds

About 2,6-dimethylpyridine;nickel;bis(trimethyl(2-phenylethynyl)silane)

2,6-dimethylpyridine;nickel;bis(trimethyl(2-phenylethynyl)silane) (PubChem CID 15392712) has the molecular formula C29H37NNiSi2 and a molecular weight of 514.49 g/mol. Its IUPAC name is 2,6-dimethylpyridine;nickel;bis(trimethyl(2-phenylethynyl)silane).

Molecular Properties

Compound Name2,6-dimethylpyridine;nickel;bis(trimethyl(2-phenylethynyl)silane)
PubChem CID15392712
Molecular FormulaC29H37NNiSi2
Molecular Weight514.49 g/mol
Exact Mass513.18
IUPAC Name2,6-dimethylpyridine;nickel;bis(trimethyl(2-phenylethynyl)silane)
SMILESC[Si](C)(C)C#Cc1ccccc1.C[Si](C)(C)C#Cc1ccccc1.Cc1cccc(C)n1.[Ni]
InChIInChI=1S/2C11H14Si.C7H9N.Ni/c2*1-12(2,3)10-9-11-7-5-4-6-8-11;1-6-4-3-5-7(2)8-6;/h2*4-8H,1-3H3;3-5H,1-2H3;
InChIKeySDMZZYHUTNRWNI-UHFFFAOYSA-N
XLogP7.53
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.49
LogP ≤ 57.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethylpyridine;nickel;bis(trimethyl(2-phenylethynyl)silane)?
The IUPAC name of 2,6-dimethylpyridine;nickel;bis(trimethyl(2-phenylethynyl)silane) (CID 15392712) is 2,6-dimethylpyridine;nickel;bis(trimethyl(2-phenylethynyl)silane).
What is the SMILES notation for 2,6-dimethylpyridine;nickel;bis(trimethyl(2-phenylethynyl)silane)?
The canonical SMILES for 2,6-dimethylpyridine;nickel;bis(trimethyl(2-phenylethynyl)silane) is C[Si](C)(C)C#Cc1ccccc1.C[Si](C)(C)C#Cc1ccccc1.Cc1cccc(C)n1.[Ni].
What is the InChIKey of 2,6-dimethylpyridine;nickel;bis(trimethyl(2-phenylethynyl)silane)?
The InChIKey is SDMZZYHUTNRWNI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H14Si.C7H9N.Ni/c2*1-12(2,3)10-9-11-7-5-4-6-8-11;1-6-4-3-5-7(2)8-6;/h2*4-8H,1-3H3;3-5H,1-2H3;.
What are the key properties of 2,6-dimethylpyridine;nickel;bis(trimethyl(2-phenylethynyl)silane)?
2,6-dimethylpyridine;nickel;bis(trimethyl(2-phenylethynyl)silane) has a molecular weight of 514.49 g/mol, XLogP of 7.53, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethylpyridine;nickel;bis(trimethyl(2-phenylethynyl)silane) is sourced from PubChem (CID 15392712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).