3-(1,1,3,4-tetraphenyl-5-pyridin-3-ylsilol-2-yl)pyridine

C38H28N2Si — CID 54032002

IUPAC3-(1,1,3,4-tetraphenyl-5-pyridin-3-ylsilol-2-yl)pyridine
SMILESc1ccc(C2=C(c3cccnc3)[Si](c3ccccc3)(c3ccccc3)C(c3cccnc3)=C2c2ccccc2)cc1
InChIInChI=1S/C38H28N2Si/c1-5-15-29(16-6-1)35-36(30-17-7-2-8-18-30)38(32-20-14-26-40-28-32)41(33-21-9-3-10-22-33,34-23-11-4-12-24-34)37(35)31-19-13-25-39-27-31/h1-28H
InChIKeyLGGLLZMZVARAKG-UHFFFAOYSA-N
MW540.74 g/mol
LogP7.35
Rot. Bonds6

About 3-(1,1,3,4-tetraphenyl-5-pyridin-3-ylsilol-2-yl)pyridine

3-(1,1,3,4-tetraphenyl-5-pyridin-3-ylsilol-2-yl)pyridine (PubChem CID 54032002) has the molecular formula C38H28N2Si and a molecular weight of 540.74 g/mol. Its IUPAC name is 3-(1,1,3,4-tetraphenyl-5-pyridin-3-ylsilol-2-yl)pyridine.

Molecular Properties

Compound Name3-(1,1,3,4-tetraphenyl-5-pyridin-3-ylsilol-2-yl)pyridine
PubChem CID54032002
Molecular FormulaC38H28N2Si
Molecular Weight540.74 g/mol
Exact Mass540.20
IUPAC Name3-(1,1,3,4-tetraphenyl-5-pyridin-3-ylsilol-2-yl)pyridine
SMILESc1ccc(C2=C(c3cccnc3)[Si](c3ccccc3)(c3ccccc3)C(c3cccnc3)=C2c2ccccc2)cc1
InChIInChI=1S/C38H28N2Si/c1-5-15-29(16-6-1)35-36(30-17-7-2-8-18-30)38(32-20-14-26-40-28-32)41(33-21-9-3-10-22-33,34-23-11-4-12-24-34)37(35)31-19-13-25-39-27-31/h1-28H
InChIKeyLGGLLZMZVARAKG-UHFFFAOYSA-N
XLogP7.35
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.74
LogP ≤ 57.35
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 3-(1,1,3,4-tetraphenyl-5-pyridin-3-ylsilol-2-yl)pyridine?
The IUPAC name of 3-(1,1,3,4-tetraphenyl-5-pyridin-3-ylsilol-2-yl)pyridine (CID 54032002) is 3-(1,1,3,4-tetraphenyl-5-pyridin-3-ylsilol-2-yl)pyridine.
What is the SMILES notation for 3-(1,1,3,4-tetraphenyl-5-pyridin-3-ylsilol-2-yl)pyridine?
The canonical SMILES for 3-(1,1,3,4-tetraphenyl-5-pyridin-3-ylsilol-2-yl)pyridine is c1ccc(C2=C(c3cccnc3)[Si](c3ccccc3)(c3ccccc3)C(c3cccnc3)=C2c2ccccc2)cc1.
What is the InChIKey of 3-(1,1,3,4-tetraphenyl-5-pyridin-3-ylsilol-2-yl)pyridine?
The InChIKey is LGGLLZMZVARAKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H28N2Si/c1-5-15-29(16-6-1)35-36(30-17-7-2-8-18-30)38(32-20-14-26-40-28-32)41(33-21-9-3-10-22-33,34-23-11-4-12-24-34)37(35)31-19-13-25-39-27-31/h1-28H.
What are the key properties of 3-(1,1,3,4-tetraphenyl-5-pyridin-3-ylsilol-2-yl)pyridine?
3-(1,1,3,4-tetraphenyl-5-pyridin-3-ylsilol-2-yl)pyridine has a molecular weight of 540.74 g/mol, XLogP of 7.35, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1,3,4-tetraphenyl-5-pyridin-3-ylsilol-2-yl)pyridine is sourced from PubChem (CID 54032002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).