6-[diphenyl-[3-(N-pyridin-2-ylanilino)phenyl]silyl]-N,N-diphenylpyridin-2-amine

C46H36N4Si — CID 140743228

IUPAC6-[diphenyl-[3-(N-pyridin-2-ylanilino)phenyl]silyl]-N,N-diphenylpyridin-2-amine
SMILESc1ccc(N(c2cccc([Si](c3ccccc3)(c3ccccc3)c3cccc(N(c4ccccc4)c4ccccc4)n3)c2)c2ccccn2)cc1
InChIInChI=1S/C46H36N4Si/c1-6-20-37(21-7-1)49(38-22-8-2-9-23-38)45-33-19-34-46(48-45)51(41-27-12-4-13-28-41,42-29-14-5-15-30-42)43-31-18-26-40(36-43)50(39-24-10-3-11-25-39)44-32-16-17-35-47-44/h1-36H
InChIKeyJKTKFIVCNQNAAE-UHFFFAOYSA-N
MW672.91 g/mol
LogP8.79
Rot. Bonds10

About 6-[diphenyl-[3-(N-pyridin-2-ylanilino)phenyl]silyl]-N,N-diphenylpyridin-2-amine

6-[diphenyl-[3-(N-pyridin-2-ylanilino)phenyl]silyl]-N,N-diphenylpyridin-2-amine (PubChem CID 140743228) has the molecular formula C46H36N4Si and a molecular weight of 672.91 g/mol. Its IUPAC name is 6-[diphenyl-[3-(N-pyridin-2-ylanilino)phenyl]silyl]-N,N-diphenylpyridin-2-amine.

Molecular Properties

Compound Name6-[diphenyl-[3-(N-pyridin-2-ylanilino)phenyl]silyl]-N,N-diphenylpyridin-2-amine
PubChem CID140743228
Molecular FormulaC46H36N4Si
Molecular Weight672.91 g/mol
Exact Mass672.27
IUPAC Name6-[diphenyl-[3-(N-pyridin-2-ylanilino)phenyl]silyl]-N,N-diphenylpyridin-2-amine
SMILESc1ccc(N(c2cccc([Si](c3ccccc3)(c3ccccc3)c3cccc(N(c4ccccc4)c4ccccc4)n3)c2)c2ccccn2)cc1
InChIInChI=1S/C46H36N4Si/c1-6-20-37(21-7-1)49(38-22-8-2-9-23-38)45-33-19-34-46(48-45)51(41-27-12-4-13-28-41,42-29-14-5-15-30-42)43-31-18-26-40(36-43)50(39-24-10-3-11-25-39)44-32-16-17-35-47-44/h1-36H
InChIKeyJKTKFIVCNQNAAE-UHFFFAOYSA-N
XLogP8.79
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500672.91
LogP ≤ 58.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-[diphenyl-[3-(N-pyridin-2-ylanilino)phenyl]silyl]-N,N-diphenylpyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[diphenyl-[3-(N-pyridin-2-ylanilino)phenyl]silyl]-N,N-diphenylpyridin-2-amine?
The IUPAC name of 6-[diphenyl-[3-(N-pyridin-2-ylanilino)phenyl]silyl]-N,N-diphenylpyridin-2-amine (CID 140743228) is 6-[diphenyl-[3-(N-pyridin-2-ylanilino)phenyl]silyl]-N,N-diphenylpyridin-2-amine.
What is the SMILES notation for 6-[diphenyl-[3-(N-pyridin-2-ylanilino)phenyl]silyl]-N,N-diphenylpyridin-2-amine?
The canonical SMILES for 6-[diphenyl-[3-(N-pyridin-2-ylanilino)phenyl]silyl]-N,N-diphenylpyridin-2-amine is c1ccc(N(c2cccc([Si](c3ccccc3)(c3ccccc3)c3cccc(N(c4ccccc4)c4ccccc4)n3)c2)c2ccccn2)cc1.
What is the InChIKey of 6-[diphenyl-[3-(N-pyridin-2-ylanilino)phenyl]silyl]-N,N-diphenylpyridin-2-amine?
The InChIKey is JKTKFIVCNQNAAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H36N4Si/c1-6-20-37(21-7-1)49(38-22-8-2-9-23-38)45-33-19-34-46(48-45)51(41-27-12-4-13-28-41,42-29-14-5-15-30-42)43-31-18-26-40(36-43)50(39-24-10-3-11-25-39)44-32-16-17-35-47-44/h1-36H.
What are the key properties of 6-[diphenyl-[3-(N-pyridin-2-ylanilino)phenyl]silyl]-N,N-diphenylpyridin-2-amine?
6-[diphenyl-[3-(N-pyridin-2-ylanilino)phenyl]silyl]-N,N-diphenylpyridin-2-amine has a molecular weight of 672.91 g/mol, XLogP of 8.79, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[diphenyl-[3-(N-pyridin-2-ylanilino)phenyl]silyl]-N,N-diphenylpyridin-2-amine is sourced from PubChem (CID 140743228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).