2,6-bis[2-(4-phenylphenyl)ethynyl]pyridine

C33H21N — CID 71605896

IUPAC2,6-bis[2-(4-phenylphenyl)ethynyl]pyridine
SMILESC(#Cc1cccc(C#Cc2ccc(-c3ccccc3)cc2)n1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C33H21N/c1-3-8-28(9-4-1)30-20-14-26(15-21-30)18-24-32-12-7-13-33(34-32)25-19-27-16-22-31(23-17-27)29-10-5-2-6-11-29/h1-17,20-23H
InChIKeyGZFMCKWULIBXNE-UHFFFAOYSA-N
MW431.54 g/mol
LogP7.22
Rot. Bonds2

About 2,6-bis[2-(4-phenylphenyl)ethynyl]pyridine

2,6-bis[2-(4-phenylphenyl)ethynyl]pyridine (PubChem CID 71605896) has the molecular formula C33H21N and a molecular weight of 431.54 g/mol. Its IUPAC name is 2,6-bis[2-(4-phenylphenyl)ethynyl]pyridine.

Molecular Properties

Compound Name2,6-bis[2-(4-phenylphenyl)ethynyl]pyridine
PubChem CID71605896
Molecular FormulaC33H21N
Molecular Weight431.54 g/mol
Exact Mass431.17
IUPAC Name2,6-bis[2-(4-phenylphenyl)ethynyl]pyridine
SMILESC(#Cc1cccc(C#Cc2ccc(-c3ccccc3)cc2)n1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C33H21N/c1-3-8-28(9-4-1)30-20-14-26(15-21-30)18-24-32-12-7-13-33(34-32)25-19-27-16-22-31(23-17-27)29-10-5-2-6-11-29/h1-17,20-23H
InChIKeyGZFMCKWULIBXNE-UHFFFAOYSA-N
XLogP7.22
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.54
LogP ≤ 57.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,6-bis[2-(4-phenylphenyl)ethynyl]pyridine?
The IUPAC name of 2,6-bis[2-(4-phenylphenyl)ethynyl]pyridine (CID 71605896) is 2,6-bis[2-(4-phenylphenyl)ethynyl]pyridine.
What is the SMILES notation for 2,6-bis[2-(4-phenylphenyl)ethynyl]pyridine?
The canonical SMILES for 2,6-bis[2-(4-phenylphenyl)ethynyl]pyridine is C(#Cc1cccc(C#Cc2ccc(-c3ccccc3)cc2)n1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2,6-bis[2-(4-phenylphenyl)ethynyl]pyridine?
The InChIKey is GZFMCKWULIBXNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H21N/c1-3-8-28(9-4-1)30-20-14-26(15-21-30)18-24-32-12-7-13-33(34-32)25-19-27-16-22-31(23-17-27)29-10-5-2-6-11-29/h1-17,20-23H.
What are the key properties of 2,6-bis[2-(4-phenylphenyl)ethynyl]pyridine?
2,6-bis[2-(4-phenylphenyl)ethynyl]pyridine has a molecular weight of 431.54 g/mol, XLogP of 7.22, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis[2-(4-phenylphenyl)ethynyl]pyridine is sourced from PubChem (CID 71605896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).