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

C62H62N6Si4 — CID 139154550

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.C[Si](C)(C)C#Cc1cccc(-c2cc(-c3ccccc3)cc(-c3cccc(C#C[Si](C)(C)C)n3)n2)n1
InChIInChI=1S/2C31H31N3Si2/c2*1-35(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/h2*7-17,22-23H,1-6H3
InChIKeyWQAMZTVARVGCMD-UHFFFAOYSA-N
MW1003.56 g/mol
LogP14.66
Rot. Bonds6

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 139154550) has the molecular formula C62H62N6Si4 and a molecular weight of 1003.56 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 CID139154550
Molecular FormulaC62H62N6Si4
Molecular Weight1003.56 g/mol
Exact Mass1002.41
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.C[Si](C)(C)C#Cc1cccc(-c2cc(-c3ccccc3)cc(-c3cccc(C#C[Si](C)(C)C)n3)n2)n1
InChIInChI=1S/2C31H31N3Si2/c2*1-35(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/h2*7-17,22-23H,1-6H3
InChIKeyWQAMZTVARVGCMD-UHFFFAOYSA-N
XLogP14.66
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001003.56
LogP ≤ 514.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

Trimethyl-[2-[6-[4-phenyl-6-[6-(2-trimethylsilylethynyl)-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]ethynyl]silane
CID 10839157
2,5-Bis(2,2'-bipyridin-6-yl)-1,1-dimethyl-3,4-diphenylsilole
CID 12121303
6,6''-Diphenyl-2,2':6',2''-terpyridine
CID 15387489
4-[2-[2-[2-(2,6-Dipyridin-2-ylpyridin-4-yl)ethynyl]phenyl]ethynyl]-2,6-dipyridin-2-ylpyridine
CID 57701764
1,2-Bis[2-(bis(6-methyl-2-pyridyl)methyl)-6-pyridyl]ethane
CID 69412190
2-[3,4-Bis(2-fluorophenyl)-1,1-dimethyl-5-(6-pyridin-2-yl-2-pyridinyl)silol-2-yl]-6-pyridin-2-ylpyridine
CID 60106018
2-(2,6-Difluoro-3-pyridinyl)-6-[2-[6-(2,6-difluoro-3-pyridinyl)-4-phenyl-2-pyridinyl]propan-2-yl]-4-phenylpyridine
CID 68112144
2-[1-Methyl-3,4-diphenyl-5-(6-pyridin-2-ylpyridin-2-yl)-1-(trifluoromethyl)silol-2-yl]-6-pyridin-2-ylpyridine
CID 153279013
1-[3-[[bis[(6-methyl-2-pyridinyl)methyl]amino]methyl]phenyl]-N,N-bis[(6-methyl-2-pyridinyl)methyl]methanamine
CID 11607609
4',4'''',4'''''''-(1,3,5-Benzenetriyltri-2,1-ethynediyl)tris[2,2':6',2''-terpyridine]
CID 15832411
5,5'-Bis(2-(5'-(2-(but-3-en-1-yl)phenyl)-[2,2'-bipyridin]-5-yl)ethyl)-2,2'-bipyridine
CID 77054840
2-(1,1-Dimethyl-2-phenyl-1-benzosilol-3-yl)-6-[6-(1,1-dimethyl-2-phenyl-1-benzosilol-3-yl)-2-pyridinyl]pyridine
CID 101513534

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 139154550) 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.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 WQAMZTVARVGCMD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C31H31N3Si2/c2*1-35(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/h2*7-17,22-23H,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 1003.56 g/mol, XLogP of 14.66, 6 rotatable bonds, 0 hydrogen bond donors, and 6 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 139154550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).