diphenyl-(6-phenyl-2-pyridinyl)-(1-phenylpyrrol-3-yl)silane

C33H26N2Si — CID 140814883

IUPACdiphenyl-(6-phenyl-2-pyridinyl)-(1-phenylpyrrol-3-yl)silane
SMILESc1ccc(-c2cccc([Si](c3ccccc3)(c3ccccc3)c3ccn(-c4ccccc4)c3)n2)cc1
InChIInChI=1S/C33H26N2Si/c1-5-14-27(15-6-1)32-22-13-23-33(34-32)36(29-18-9-3-10-19-29,30-20-11-4-12-21-30)31-24-25-35(26-31)28-16-7-2-8-17-28/h1-26H
InChIKeyJUHJNYUKFOYLSC-UHFFFAOYSA-N
MW478.67 g/mol
LogP4.92
Rot. Bonds6

About diphenyl-(6-phenyl-2-pyridinyl)-(1-phenylpyrrol-3-yl)silane

diphenyl-(6-phenyl-2-pyridinyl)-(1-phenylpyrrol-3-yl)silane (PubChem CID 140814883) has the molecular formula C33H26N2Si and a molecular weight of 478.67 g/mol. Its IUPAC name is diphenyl-(6-phenyl-2-pyridinyl)-(1-phenylpyrrol-3-yl)silane.

Molecular Properties

Compound Namediphenyl-(6-phenyl-2-pyridinyl)-(1-phenylpyrrol-3-yl)silane
PubChem CID140814883
Molecular FormulaC33H26N2Si
Molecular Weight478.67 g/mol
Exact Mass478.19
IUPAC Namediphenyl-(6-phenyl-2-pyridinyl)-(1-phenylpyrrol-3-yl)silane
SMILESc1ccc(-c2cccc([Si](c3ccccc3)(c3ccccc3)c3ccn(-c4ccccc4)c3)n2)cc1
InChIInChI=1S/C33H26N2Si/c1-5-14-27(15-6-1)32-22-13-23-33(34-32)36(29-18-9-3-10-19-29,30-20-11-4-12-21-30)31-24-25-35(26-31)28-16-7-2-8-17-28/h1-26H
InChIKeyJUHJNYUKFOYLSC-UHFFFAOYSA-N
XLogP4.92
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms36
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.67
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 diphenyl-(6-phenyl-2-pyridinyl)-(1-phenylpyrrol-3-yl)silane?
The IUPAC name of diphenyl-(6-phenyl-2-pyridinyl)-(1-phenylpyrrol-3-yl)silane (CID 140814883) is diphenyl-(6-phenyl-2-pyridinyl)-(1-phenylpyrrol-3-yl)silane.
What is the SMILES notation for diphenyl-(6-phenyl-2-pyridinyl)-(1-phenylpyrrol-3-yl)silane?
The canonical SMILES for diphenyl-(6-phenyl-2-pyridinyl)-(1-phenylpyrrol-3-yl)silane is c1ccc(-c2cccc([Si](c3ccccc3)(c3ccccc3)c3ccn(-c4ccccc4)c3)n2)cc1.
What is the InChIKey of diphenyl-(6-phenyl-2-pyridinyl)-(1-phenylpyrrol-3-yl)silane?
The InChIKey is JUHJNYUKFOYLSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H26N2Si/c1-5-14-27(15-6-1)32-22-13-23-33(34-32)36(29-18-9-3-10-19-29,30-20-11-4-12-21-30)31-24-25-35(26-31)28-16-7-2-8-17-28/h1-26H.
What are the key properties of diphenyl-(6-phenyl-2-pyridinyl)-(1-phenylpyrrol-3-yl)silane?
diphenyl-(6-phenyl-2-pyridinyl)-(1-phenylpyrrol-3-yl)silane has a molecular weight of 478.67 g/mol, XLogP of 4.92, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl-(6-phenyl-2-pyridinyl)-(1-phenylpyrrol-3-yl)silane is sourced from PubChem (CID 140814883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).