5-[2-(2-bromophenyl)ethynyl]-2-(3-phenylphenyl)pyridine

C25H16BrN — CID 150105994

IUPAC5-[2-(2-bromophenyl)ethynyl]-2-(3-phenylphenyl)pyridine
SMILESBrc1ccccc1C#Cc1ccc(-c2cccc(-c3ccccc3)c2)nc1
InChIInChI=1S/C25H16BrN/c26-24-12-5-4-9-21(24)15-13-19-14-16-25(27-18-19)23-11-6-10-22(17-23)20-7-2-1-3-8-20/h1-12,14,16-18H
InChIKeyDWGCDSCIQKRQDL-UHFFFAOYSA-N
MW410.31 g/mol
LogP6.58
Rot. Bonds2

About 5-[2-(2-bromophenyl)ethynyl]-2-(3-phenylphenyl)pyridine

5-[2-(2-bromophenyl)ethynyl]-2-(3-phenylphenyl)pyridine (PubChem CID 150105994) has the molecular formula C25H16BrN and a molecular weight of 410.31 g/mol. Its IUPAC name is 5-[2-(2-bromophenyl)ethynyl]-2-(3-phenylphenyl)pyridine.

Molecular Properties

Compound Name5-[2-(2-bromophenyl)ethynyl]-2-(3-phenylphenyl)pyridine
PubChem CID150105994
Molecular FormulaC25H16BrN
Molecular Weight410.31 g/mol
Exact Mass409.05
IUPAC Name5-[2-(2-bromophenyl)ethynyl]-2-(3-phenylphenyl)pyridine
SMILESBrc1ccccc1C#Cc1ccc(-c2cccc(-c3ccccc3)c2)nc1
InChIInChI=1S/C25H16BrN/c26-24-12-5-4-9-21(24)15-13-19-14-16-25(27-18-19)23-11-6-10-22(17-23)20-7-2-1-3-8-20/h1-12,14,16-18H
InChIKeyDWGCDSCIQKRQDL-UHFFFAOYSA-N
XLogP6.58
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.31
LogP ≤ 56.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(3-phenylphenyl)-5-[6-(3-phenylphenyl)-3-pyridinyl]pyridine
CID 59629353
1-bromo-2-[2-[4-(2-phenylethynyl)phenyl]ethynyl]benzene
CID 141055556
5-[2-[3,5-bis[2-[6-[3-(2-phenylethynyl)phenyl]-3-pyridinyl]phenyl]phenyl]phenyl]-2-[3-(2-phenylethynyl)phenyl]pyridine
CID 153429602
2-phenyl-5-[2-[3-[2-[6-(3-phenylphenyl)-3-pyridinyl]phenyl]-5-[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]pyridine
CID 134191385
2-(3,5-diphenylphenyl)-5-[6-(3,5-diphenylphenyl)-3-pyridinyl]pyridine
CID 59629341
5-[2-[3,5-bis[2-[6-[3-(2-triphenylen-2-ylethynyl)phenyl]-3-pyridinyl]phenyl]phenyl]phenyl]-2-phenylpyridine
CID 148801621
5-methyl-2-[3-(4-methylphenyl)phenyl]pyridine
CID 59294838
5-methyl-2-[3-[3-(5-methyl-2-pyridinyl)phenyl]phenyl]pyridine
CID 171470506
2-[3-[4-[4-[3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyridine
CID 171461302
4-(3-phenylphenyl)-6-(4-phenylphenyl)pyrimidine
CID 134179987
5-bromo-2-(4-phenylphenyl)pyridine
CID 59156304
1-bromo-3-[3-[3-(3-phenylphenyl)phenyl]phenyl]benzene
CID 126764180

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-bromophenyl)ethynyl]-2-(3-phenylphenyl)pyridine?
The IUPAC name of 5-[2-(2-bromophenyl)ethynyl]-2-(3-phenylphenyl)pyridine (CID 150105994) is 5-[2-(2-bromophenyl)ethynyl]-2-(3-phenylphenyl)pyridine.
What is the SMILES notation for 5-[2-(2-bromophenyl)ethynyl]-2-(3-phenylphenyl)pyridine?
The canonical SMILES for 5-[2-(2-bromophenyl)ethynyl]-2-(3-phenylphenyl)pyridine is Brc1ccccc1C#Cc1ccc(-c2cccc(-c3ccccc3)c2)nc1.
What is the InChIKey of 5-[2-(2-bromophenyl)ethynyl]-2-(3-phenylphenyl)pyridine?
The InChIKey is DWGCDSCIQKRQDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16BrN/c26-24-12-5-4-9-21(24)15-13-19-14-16-25(27-18-19)23-11-6-10-22(17-23)20-7-2-1-3-8-20/h1-12,14,16-18H.
What are the key properties of 5-[2-(2-bromophenyl)ethynyl]-2-(3-phenylphenyl)pyridine?
5-[2-(2-bromophenyl)ethynyl]-2-(3-phenylphenyl)pyridine has a molecular weight of 410.31 g/mol, XLogP of 6.58, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-bromophenyl)ethynyl]-2-(3-phenylphenyl)pyridine is sourced from PubChem (CID 150105994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).