trimethyl-[2-[6-[4-phenyl-6-[6-(2-trimethylsilylethynyl)-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]ethynyl]silane

C31H31N3Si2 — CID 10839157

IUPACtrimethyl-[2-[6-[4-phenyl-6-[6-(2-trimethylsilylethynyl)-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]ethynyl]silane
SMILESC[Si](C)(C)C#Cc1cccc(-c2cc(-c3ccccc3)cc(-c3cccc(C#C[Si](C)(C)C)n3)n2)n1
InChIInChI=1S/C31H31N3Si2/c1-35(2,3)20-18-26-14-10-16-28(32-26)30-22-25(24-12-8-7-9-13-24)23-31(34-30)29-17-11-15-27(33-29)19-21-36(4,5)6/h7-17,22-23H,1-6H3
InChIKeyVEMPVTKJIDROBQ-UHFFFAOYSA-N
MW501.78 g/mol
LogP7.33
Rot. Bonds3

About trimethyl-[2-[6-[4-phenyl-6-[6-(2-trimethylsilylethynyl)-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]ethynyl]silane

trimethyl-[2-[6-[4-phenyl-6-[6-(2-trimethylsilylethynyl)-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]ethynyl]silane (PubChem CID 10839157) has the molecular formula C31H31N3Si2 and a molecular weight of 501.78 g/mol. Its IUPAC name is trimethyl-[2-[6-[4-phenyl-6-[6-(2-trimethylsilylethynyl)-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]ethynyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-[6-[4-phenyl-6-[6-(2-trimethylsilylethynyl)-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]ethynyl]silane
PubChem CID10839157
Molecular FormulaC31H31N3Si2
Molecular Weight501.78 g/mol
Exact Mass501.21
IUPAC Nametrimethyl-[2-[6-[4-phenyl-6-[6-(2-trimethylsilylethynyl)-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]ethynyl]silane
SMILESC[Si](C)(C)C#Cc1cccc(-c2cc(-c3ccccc3)cc(-c3cccc(C#C[Si](C)(C)C)n3)n2)n1
InChIInChI=1S/C31H31N3Si2/c1-35(2,3)20-18-26-14-10-16-28(32-26)30-22-25(24-12-8-7-9-13-24)23-31(34-30)29-17-11-15-27(33-29)19-21-36(4,5)6/h7-17,22-23H,1-6H3
InChIKeyVEMPVTKJIDROBQ-UHFFFAOYSA-N
XLogP7.33
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.78
LogP ≤ 57.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze trimethyl-[2-[6-[4-phenyl-6-[6-(2-trimethylsilylethynyl)-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]ethynyl]silane with MolForge

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Related Compounds

4'-(4-Methylphenyl)-2,2'-6',2''-terpyridine
CID 146114
4-(4-Methylphenyl)-2-(6-(2-pyridyl)(2-pyridyl))pyridine
CID 20787103
6,6'-Diphenyl-2,2'-bipyridine
CID 15426909
4-(4-Methylphenyl)-2,6-bis(4-methyl-2-pyridinyl)pyridine
CID 4447359
4,4-Dimethyl-1-[[6-(4-propan-2-ylphenyl)-2-pyridinyl]methyl]-1,4-azasilinane
CID 172455870
2,2'-Bipyridine, 6,6'-bis[(trimethylsilyl)ethynyl]-
CID 10760181
2,6-Dimethylpyridine;nickel;bis(trimethyl(2-phenylethynyl)silane)
CID 15392712
2-(2-Phenylethynyl)-6-[6-(2-phenylethynyl)-2-pyridinyl]pyridine
CID 21580193
5,5'-Bis(trimethylsilylethynyl)-2,2'-bipyridine
CID 5247662
6,6'-Dimesityl-2,2'-bipyridine
CID 5256713
4'-(4-Ethynylphenyl)-2,2':6',2''-terpyridine
CID 10782871
2,2'-Bipyridine, 4,4'-bis(1,1-dimethylethyl)-6,6'-diphenyl-
CID 11711463

Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-[6-[4-phenyl-6-[6-(2-trimethylsilylethynyl)-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]ethynyl]silane?
The IUPAC name of trimethyl-[2-[6-[4-phenyl-6-[6-(2-trimethylsilylethynyl)-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]ethynyl]silane (CID 10839157) is trimethyl-[2-[6-[4-phenyl-6-[6-(2-trimethylsilylethynyl)-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]ethynyl]silane.
What is the SMILES notation for trimethyl-[2-[6-[4-phenyl-6-[6-(2-trimethylsilylethynyl)-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]ethynyl]silane?
The canonical SMILES for trimethyl-[2-[6-[4-phenyl-6-[6-(2-trimethylsilylethynyl)-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]ethynyl]silane is C[Si](C)(C)C#Cc1cccc(-c2cc(-c3ccccc3)cc(-c3cccc(C#C[Si](C)(C)C)n3)n2)n1.
What is the InChIKey of trimethyl-[2-[6-[4-phenyl-6-[6-(2-trimethylsilylethynyl)-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]ethynyl]silane?
The InChIKey is VEMPVTKJIDROBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31N3Si2/c1-35(2,3)20-18-26-14-10-16-28(32-26)30-22-25(24-12-8-7-9-13-24)23-31(34-30)29-17-11-15-27(33-29)19-21-36(4,5)6/h7-17,22-23H,1-6H3.
What are the key properties of trimethyl-[2-[6-[4-phenyl-6-[6-(2-trimethylsilylethynyl)-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]ethynyl]silane?
trimethyl-[2-[6-[4-phenyl-6-[6-(2-trimethylsilylethynyl)-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]ethynyl]silane has a molecular weight of 501.78 g/mol, XLogP of 7.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[6-[4-phenyl-6-[6-(2-trimethylsilylethynyl)-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]ethynyl]silane is sourced from PubChem (CID 10839157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).