[3-[4-(2,6-dimethylphenyl)-6-(3-triphenylsilylphenyl)-2-pyridinyl]phenyl]-triphenylsilane

C61H49NSi2 — CID 155622012

IUPAC[3-[4-(2,6-dimethylphenyl)-6-(3-triphenylsilylphenyl)-2-pyridinyl]phenyl]-triphenylsilane
SMILESCc1cccc(C)c1-c1cc(-c2cccc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)c2)nc(-c2cccc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)c2)c1
InChIInChI=1S/C61H49NSi2/c1-46-24-21-25-47(2)61(46)50-44-59(48-26-22-40-57(42-48)63(51-28-9-3-10-29-51,52-30-11-4-12-31-52)53-32-13-5-14-33-53)62-60(45-50)49-27-23-41-58(43-49)64(54-34-15-6-16-35-54,55-36-17-7-18-37-55)56-38-19-8-20-39-56/h3-45H,1-2H3
InChIKeyYYZQCRHSGTYZKH-UHFFFAOYSA-N
MW852.24 g/mol
LogP9.45
Rot. Bonds11

About [3-[4-(2,6-dimethylphenyl)-6-(3-triphenylsilylphenyl)-2-pyridinyl]phenyl]-triphenylsilane

[3-[4-(2,6-dimethylphenyl)-6-(3-triphenylsilylphenyl)-2-pyridinyl]phenyl]-triphenylsilane (PubChem CID 155622012) has the molecular formula C61H49NSi2 and a molecular weight of 852.24 g/mol. Its IUPAC name is [3-[4-(2,6-dimethylphenyl)-6-(3-triphenylsilylphenyl)-2-pyridinyl]phenyl]-triphenylsilane.

Molecular Properties

Compound Name[3-[4-(2,6-dimethylphenyl)-6-(3-triphenylsilylphenyl)-2-pyridinyl]phenyl]-triphenylsilane
PubChem CID155622012
Molecular FormulaC61H49NSi2
Molecular Weight852.24 g/mol
Exact Mass851.34
IUPAC Name[3-[4-(2,6-dimethylphenyl)-6-(3-triphenylsilylphenyl)-2-pyridinyl]phenyl]-triphenylsilane
SMILESCc1cccc(C)c1-c1cc(-c2cccc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)c2)nc(-c2cccc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)c2)c1
InChIInChI=1S/C61H49NSi2/c1-46-24-21-25-47(2)61(46)50-44-59(48-26-22-40-57(42-48)63(51-28-9-3-10-29-51,52-30-11-4-12-31-52)53-32-13-5-14-33-53)62-60(45-50)49-27-23-41-58(43-49)64(54-34-15-6-16-35-54,55-36-17-7-18-37-55)56-38-19-8-20-39-56/h3-45H,1-2H3
InChIKeyYYZQCRHSGTYZKH-UHFFFAOYSA-N
XLogP9.45
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500852.24
LogP ≤ 59.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-triphenylsilane
CID 162701574
4,6-bis(3-triphenylsilylphenyl)pyrimidine-2-carbonitrile
CID 164931519
4-[4-(2,6-diphenyl-4-pyridinyl)-2,3,5,6-tetramethylphenyl]-2,6-diphenylpyridine
CID 58692905
[3-[4-[4-[4-[4,6-bis(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane
CID 158387824
triphenyl-[3-[4-(3-phenylcarbazol-9-yl)-6-(3-triphenylsilylphenyl)-2-pyridinyl]phenyl]silane
CID 168780527
2-[3-[4-[3,5-bis[2-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-6-methyl-4-pyridinyl]phenyl]-6-methyl-2-pyridinyl]phenyl]-4,6-diphenylpyridine;4-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-2-[3-[4-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-6-phenyl-2-pyridinyl]phenyl]-6-phenylpyridine;2-[4-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-4-[3-[2-[4-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-6-phenyl-4-pyridinyl]phenyl]-6-phenylpyridine
CID 160789301
triphenyl-[3-[4-phenyl-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]silane
CID 155622091
[3-[diphenyl-(3-phenylphenyl)silyl]-5-methylphenyl]-diphenyl-(3-phenylphenyl)silane
CID 170660172
4-(2,6-dichlorophenyl)-2,6-diphenylpyridine
CID 139203314
[3-[2,5-diphenyl-3-[4-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]phenyl]phenyl]-triphenylsilane
CID 177078988
2,6-bis(3-methylphenyl)-4-[4-(3-phenylphenyl)phenyl]pyridine;2,6-bis(3-methylphenyl)-4-(4-phenylphenyl)pyridine;4-[4-(3,5-diphenylphenyl)phenyl]-2,6-bis(3-methylphenyl)pyridine
CID 157407374
2-(4,6-diphenyl-2-pyridinyl)-6-[3-(4-methylphenyl)phenyl]-4-phenylpyridine
CID 143267281

Frequently Asked Questions

What is the IUPAC name of [3-[4-(2,6-dimethylphenyl)-6-(3-triphenylsilylphenyl)-2-pyridinyl]phenyl]-triphenylsilane?
The IUPAC name of [3-[4-(2,6-dimethylphenyl)-6-(3-triphenylsilylphenyl)-2-pyridinyl]phenyl]-triphenylsilane (CID 155622012) is [3-[4-(2,6-dimethylphenyl)-6-(3-triphenylsilylphenyl)-2-pyridinyl]phenyl]-triphenylsilane.
What is the SMILES notation for [3-[4-(2,6-dimethylphenyl)-6-(3-triphenylsilylphenyl)-2-pyridinyl]phenyl]-triphenylsilane?
The canonical SMILES for [3-[4-(2,6-dimethylphenyl)-6-(3-triphenylsilylphenyl)-2-pyridinyl]phenyl]-triphenylsilane is Cc1cccc(C)c1-c1cc(-c2cccc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)c2)nc(-c2cccc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)c2)c1.
What is the InChIKey of [3-[4-(2,6-dimethylphenyl)-6-(3-triphenylsilylphenyl)-2-pyridinyl]phenyl]-triphenylsilane?
The InChIKey is YYZQCRHSGTYZKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H49NSi2/c1-46-24-21-25-47(2)61(46)50-44-59(48-26-22-40-57(42-48)63(51-28-9-3-10-29-51,52-30-11-4-12-31-52)53-32-13-5-14-33-53)62-60(45-50)49-27-23-41-58(43-49)64(54-34-15-6-16-35-54,55-36-17-7-18-37-55)56-38-19-8-20-39-56/h3-45H,1-2H3.
What are the key properties of [3-[4-(2,6-dimethylphenyl)-6-(3-triphenylsilylphenyl)-2-pyridinyl]phenyl]-triphenylsilane?
[3-[4-(2,6-dimethylphenyl)-6-(3-triphenylsilylphenyl)-2-pyridinyl]phenyl]-triphenylsilane has a molecular weight of 852.24 g/mol, XLogP of 9.45, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-(2,6-dimethylphenyl)-6-(3-triphenylsilylphenyl)-2-pyridinyl]phenyl]-triphenylsilane is sourced from PubChem (CID 155622012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).