2-[2-[2-(4-phenylphenyl)ethyl]phenyl]pyridine

C25H21N — CID 135057697

IUPAC2-[2-[2-(4-phenylphenyl)ethyl]phenyl]pyridine
SMILESc1ccc(-c2ccc(CCc3ccccc3-c3ccccn3)cc2)cc1
InChIInChI=1S/C25H21N/c1-2-8-21(9-3-1)22-16-13-20(14-17-22)15-18-23-10-4-5-11-24(23)25-12-6-7-19-26-25/h1-14,16-17,19H,15,18H2
InChIKeyFJTVLURGJMRDME-UHFFFAOYSA-N
MW335.45 g/mol
LogP6.20
Rot. Bonds5

About 2-[2-[2-(4-phenylphenyl)ethyl]phenyl]pyridine

2-[2-[2-(4-phenylphenyl)ethyl]phenyl]pyridine (PubChem CID 135057697) has the molecular formula C25H21N and a molecular weight of 335.45 g/mol. Its IUPAC name is 2-[2-[2-(4-phenylphenyl)ethyl]phenyl]pyridine.

Molecular Properties

Compound Name2-[2-[2-(4-phenylphenyl)ethyl]phenyl]pyridine
PubChem CID135057697
Molecular FormulaC25H21N
Molecular Weight335.45 g/mol
Exact Mass335.17
IUPAC Name2-[2-[2-(4-phenylphenyl)ethyl]phenyl]pyridine
SMILESc1ccc(-c2ccc(CCc3ccccc3-c3ccccn3)cc2)cc1
InChIInChI=1S/C25H21N/c1-2-8-21(9-3-1)22-16-13-20(14-17-22)15-18-23-10-4-5-11-24(23)25-12-6-7-19-26-25/h1-14,16-17,19H,15,18H2
InChIKeyFJTVLURGJMRDME-UHFFFAOYSA-N
XLogP6.20
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms26
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.45
LogP ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(4-phenylphenyl)ethyl]phenyl]pyridine?
The IUPAC name of 2-[2-[2-(4-phenylphenyl)ethyl]phenyl]pyridine (CID 135057697) is 2-[2-[2-(4-phenylphenyl)ethyl]phenyl]pyridine.
What is the SMILES notation for 2-[2-[2-(4-phenylphenyl)ethyl]phenyl]pyridine?
The canonical SMILES for 2-[2-[2-(4-phenylphenyl)ethyl]phenyl]pyridine is c1ccc(-c2ccc(CCc3ccccc3-c3ccccn3)cc2)cc1.
What is the InChIKey of 2-[2-[2-(4-phenylphenyl)ethyl]phenyl]pyridine?
The InChIKey is FJTVLURGJMRDME-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N/c1-2-8-21(9-3-1)22-16-13-20(14-17-22)15-18-23-10-4-5-11-24(23)25-12-6-7-19-26-25/h1-14,16-17,19H,15,18H2.
What are the key properties of 2-[2-[2-(4-phenylphenyl)ethyl]phenyl]pyridine?
2-[2-[2-(4-phenylphenyl)ethyl]phenyl]pyridine has a molecular weight of 335.45 g/mol, XLogP of 6.20, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(4-phenylphenyl)ethyl]phenyl]pyridine is sourced from PubChem (CID 135057697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).