diphenyl-(3-pyridin-2-ylphenyl)-(6-pyridin-2-yl-2-pyridinyl)silane

C33H25N3Si — CID 140814776

IUPACdiphenyl-(3-pyridin-2-ylphenyl)-(6-pyridin-2-yl-2-pyridinyl)silane
SMILESc1ccc([Si](c2ccccc2)(c2cccc(-c3ccccn3)c2)c2cccc(-c3ccccn3)n2)cc1
InChIInChI=1S/C33H25N3Si/c1-3-14-27(15-4-1)37(28-16-5-2-6-17-28,29-18-11-13-26(25-29)30-19-7-9-23-34-30)33-22-12-21-32(36-33)31-20-8-10-24-35-31/h1-25H
InChIKeyMLZBRSHPAKMTGQ-UHFFFAOYSA-N
MW491.67 g/mol
LogP4.58
Rot. Bonds6

About diphenyl-(3-pyridin-2-ylphenyl)-(6-pyridin-2-yl-2-pyridinyl)silane

diphenyl-(3-pyridin-2-ylphenyl)-(6-pyridin-2-yl-2-pyridinyl)silane (PubChem CID 140814776) has the molecular formula C33H25N3Si and a molecular weight of 491.67 g/mol. Its IUPAC name is diphenyl-(3-pyridin-2-ylphenyl)-(6-pyridin-2-yl-2-pyridinyl)silane.

Molecular Properties

Compound Namediphenyl-(3-pyridin-2-ylphenyl)-(6-pyridin-2-yl-2-pyridinyl)silane
PubChem CID140814776
Molecular FormulaC33H25N3Si
Molecular Weight491.67 g/mol
Exact Mass491.18
IUPAC Namediphenyl-(3-pyridin-2-ylphenyl)-(6-pyridin-2-yl-2-pyridinyl)silane
SMILESc1ccc([Si](c2ccccc2)(c2cccc(-c3ccccn3)c2)c2cccc(-c3ccccn3)n2)cc1
InChIInChI=1S/C33H25N3Si/c1-3-14-27(15-4-1)37(28-16-5-2-6-17-28,29-18-11-13-26(25-29)30-19-7-9-23-34-30)33-22-12-21-32(36-33)31-20-8-10-24-35-31/h1-25H
InChIKeyMLZBRSHPAKMTGQ-UHFFFAOYSA-N
XLogP4.58
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms37
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.67
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of diphenyl-(3-pyridin-2-ylphenyl)-(6-pyridin-2-yl-2-pyridinyl)silane?
The IUPAC name of diphenyl-(3-pyridin-2-ylphenyl)-(6-pyridin-2-yl-2-pyridinyl)silane (CID 140814776) is diphenyl-(3-pyridin-2-ylphenyl)-(6-pyridin-2-yl-2-pyridinyl)silane.
What is the SMILES notation for diphenyl-(3-pyridin-2-ylphenyl)-(6-pyridin-2-yl-2-pyridinyl)silane?
The canonical SMILES for diphenyl-(3-pyridin-2-ylphenyl)-(6-pyridin-2-yl-2-pyridinyl)silane is c1ccc([Si](c2ccccc2)(c2cccc(-c3ccccn3)c2)c2cccc(-c3ccccn3)n2)cc1.
What is the InChIKey of diphenyl-(3-pyridin-2-ylphenyl)-(6-pyridin-2-yl-2-pyridinyl)silane?
The InChIKey is MLZBRSHPAKMTGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H25N3Si/c1-3-14-27(15-4-1)37(28-16-5-2-6-17-28,29-18-11-13-26(25-29)30-19-7-9-23-34-30)33-22-12-21-32(36-33)31-20-8-10-24-35-31/h1-25H.
What are the key properties of diphenyl-(3-pyridin-2-ylphenyl)-(6-pyridin-2-yl-2-pyridinyl)silane?
diphenyl-(3-pyridin-2-ylphenyl)-(6-pyridin-2-yl-2-pyridinyl)silane has a molecular weight of 491.67 g/mol, XLogP of 4.58, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl-(3-pyridin-2-ylphenyl)-(6-pyridin-2-yl-2-pyridinyl)silane is sourced from PubChem (CID 140814776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).