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

C25H27N3Si2 — CID 101170977

IUPACtrimethyl-[2-[6-[6-[6-(2-trimethylsilylethynyl)-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]ethynyl]silane
SMILESC[Si](C)(C)C#Cc1cccc(-c2cccc(-c3cccc(C#C[Si](C)(C)C)n3)n2)n1
InChIInChI=1S/C25H27N3Si2/c1-29(2,3)18-16-20-10-7-12-22(26-20)24-14-9-15-25(28-24)23-13-8-11-21(27-23)17-19-30(4,5)6/h7-15H,1-6H3
InChIKeyPMSIKXFKLOAREY-UHFFFAOYSA-N
MW425.68 g/mol
LogP5.66
Rot. Bonds2

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

trimethyl-[2-[6-[6-[6-(2-trimethylsilylethynyl)-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]ethynyl]silane (PubChem CID 101170977) has the molecular formula C25H27N3Si2 and a molecular weight of 425.68 g/mol. Its IUPAC name is trimethyl-[2-[6-[6-[6-(2-trimethylsilylethynyl)-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]ethynyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-[6-[6-[6-(2-trimethylsilylethynyl)-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]ethynyl]silane
PubChem CID101170977
Molecular FormulaC25H27N3Si2
Molecular Weight425.68 g/mol
Exact Mass425.17
IUPAC Nametrimethyl-[2-[6-[6-[6-(2-trimethylsilylethynyl)-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]ethynyl]silane
SMILESC[Si](C)(C)C#Cc1cccc(-c2cccc(-c3cccc(C#C[Si](C)(C)C)n3)n2)n1
InChIInChI=1S/C25H27N3Si2/c1-29(2,3)18-16-20-10-7-12-22(26-20)24-14-9-15-25(28-24)23-13-8-11-21(27-23)17-19-30(4,5)6/h7-15H,1-6H3
InChIKeyPMSIKXFKLOAREY-UHFFFAOYSA-N
XLogP5.66
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.68
LogP ≤ 55.66
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'}

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Related Compounds

6,6'-Bi-2-picoline
CID 20445
6,6''-Dimethyl-2,2':6',2''-terpyridine
CID 11257813
2,6-Bis[(trimethylsilyl)ethynyl]pyridine
CID 12579659
2,2'-Bipyridine, 6,6'-bis[(trimethylsilyl)ethynyl]-
CID 10760181
6,6'-Diethynyl-2,2'-bipyridine
CID 10798229
Trimethyl-[2-[6-[4-phenyl-6-[6-(2-trimethylsilylethynyl)-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]ethynyl]silane
CID 10839157
[2.1.1]-(2,6)-Pyridinophane
CID 11205659
2,6-Bis(6-methyl-2-pyridylmethyl)pyridine
CID 11335240
2,2'-Bipyridine, 6,6'-dibutyl-
CID 12316111
Trimethyl-[2-[3-(2-trimethylsilylethynyl)quinoxalin-2-yl]ethynyl]silane
CID 102315191
Tris(6-methyl-2-pyridylmethyl)amine
CID 11115050
Tris(6-methylpyridin-2-yl)methane
CID 15421087

Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-[6-[6-[6-(2-trimethylsilylethynyl)-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]ethynyl]silane?
The IUPAC name of trimethyl-[2-[6-[6-[6-(2-trimethylsilylethynyl)-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]ethynyl]silane (CID 101170977) is trimethyl-[2-[6-[6-[6-(2-trimethylsilylethynyl)-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]ethynyl]silane.
What is the SMILES notation for trimethyl-[2-[6-[6-[6-(2-trimethylsilylethynyl)-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]ethynyl]silane?
The canonical SMILES for trimethyl-[2-[6-[6-[6-(2-trimethylsilylethynyl)-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]ethynyl]silane is C[Si](C)(C)C#Cc1cccc(-c2cccc(-c3cccc(C#C[Si](C)(C)C)n3)n2)n1.
What is the InChIKey of trimethyl-[2-[6-[6-[6-(2-trimethylsilylethynyl)-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]ethynyl]silane?
The InChIKey is PMSIKXFKLOAREY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3Si2/c1-29(2,3)18-16-20-10-7-12-22(26-20)24-14-9-15-25(28-24)23-13-8-11-21(27-23)17-19-30(4,5)6/h7-15H,1-6H3.
What are the key properties of trimethyl-[2-[6-[6-[6-(2-trimethylsilylethynyl)-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]ethynyl]silane?
trimethyl-[2-[6-[6-[6-(2-trimethylsilylethynyl)-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]ethynyl]silane has a molecular weight of 425.68 g/mol, XLogP of 5.66, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[6-[6-[6-(2-trimethylsilylethynyl)-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]ethynyl]silane is sourced from PubChem (CID 101170977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).