trimethyl-[4-[3-(4-pyridin-2-ylphenyl)phenyl]phenyl]silane

C26H25NSi — CID 171056391

IUPACtrimethyl-[4-[3-(4-pyridin-2-ylphenyl)phenyl]phenyl]silane
SMILESC[Si](C)(C)c1ccc(-c2cccc(-c3ccc(-c4ccccn4)cc3)c2)cc1
InChIInChI=1S/C26H25NSi/c1-28(2,3)25-16-14-21(15-17-25)24-8-6-7-23(19-24)20-10-12-22(13-11-20)26-9-4-5-18-27-26/h4-19H,1-3H3
InChIKeyOFSXILXWUWYJPU-UHFFFAOYSA-N
MW379.58 g/mol
LogP6.63
Rot. Bonds4

About trimethyl-[4-[3-(4-pyridin-2-ylphenyl)phenyl]phenyl]silane

trimethyl-[4-[3-(4-pyridin-2-ylphenyl)phenyl]phenyl]silane (PubChem CID 171056391) has the molecular formula C26H25NSi and a molecular weight of 379.58 g/mol. Its IUPAC name is trimethyl-[4-[3-(4-pyridin-2-ylphenyl)phenyl]phenyl]silane.

Molecular Properties

Compound Nametrimethyl-[4-[3-(4-pyridin-2-ylphenyl)phenyl]phenyl]silane
PubChem CID171056391
Molecular FormulaC26H25NSi
Molecular Weight379.58 g/mol
Exact Mass379.18
IUPAC Nametrimethyl-[4-[3-(4-pyridin-2-ylphenyl)phenyl]phenyl]silane
SMILESC[Si](C)(C)c1ccc(-c2cccc(-c3ccc(-c4ccccn4)cc3)c2)cc1
InChIInChI=1S/C26H25NSi/c1-28(2,3)25-16-14-21(15-17-25)24-8-6-7-23(19-24)20-10-12-22(13-11-20)26-9-4-5-18-27-26/h4-19H,1-3H3
InChIKeyOFSXILXWUWYJPU-UHFFFAOYSA-N
XLogP6.63
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.58
LogP ≤ 56.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[4-[3-(4-pyridin-2-ylphenyl)phenyl]phenyl]silane?
The IUPAC name of trimethyl-[4-[3-(4-pyridin-2-ylphenyl)phenyl]phenyl]silane (CID 171056391) is trimethyl-[4-[3-(4-pyridin-2-ylphenyl)phenyl]phenyl]silane.
What is the SMILES notation for trimethyl-[4-[3-(4-pyridin-2-ylphenyl)phenyl]phenyl]silane?
The canonical SMILES for trimethyl-[4-[3-(4-pyridin-2-ylphenyl)phenyl]phenyl]silane is C[Si](C)(C)c1ccc(-c2cccc(-c3ccc(-c4ccccn4)cc3)c2)cc1.
What is the InChIKey of trimethyl-[4-[3-(4-pyridin-2-ylphenyl)phenyl]phenyl]silane?
The InChIKey is OFSXILXWUWYJPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25NSi/c1-28(2,3)25-16-14-21(15-17-25)24-8-6-7-23(19-24)20-10-12-22(13-11-20)26-9-4-5-18-27-26/h4-19H,1-3H3.
What are the key properties of trimethyl-[4-[3-(4-pyridin-2-ylphenyl)phenyl]phenyl]silane?
trimethyl-[4-[3-(4-pyridin-2-ylphenyl)phenyl]phenyl]silane has a molecular weight of 379.58 g/mol, XLogP of 6.63, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[4-[3-(4-pyridin-2-ylphenyl)phenyl]phenyl]silane is sourced from PubChem (CID 171056391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).