2-methyl-4-(2-triphenylen-2-ylethynyl)pyridine

C26H17N — CID 126725876

IUPAC2-methyl-4-(2-triphenylen-2-ylethynyl)pyridine
SMILESCc1cc(C#Cc2ccc3c4ccccc4c4ccccc4c3c2)ccn1
InChIInChI=1S/C26H17N/c1-18-16-20(14-15-27-18)11-10-19-12-13-25-23-8-3-2-6-21(23)22-7-4-5-9-24(22)26(25)17-19/h2-9,12-17H,1H3
InChIKeyJIMOTLHYLNFZMR-UHFFFAOYSA-N
MW343.43 g/mol
LogP6.25
Rot. Bonds

About 2-methyl-4-(2-triphenylen-2-ylethynyl)pyridine

2-methyl-4-(2-triphenylen-2-ylethynyl)pyridine (PubChem CID 126725876) has the molecular formula C26H17N and a molecular weight of 343.43 g/mol. Its IUPAC name is 2-methyl-4-(2-triphenylen-2-ylethynyl)pyridine.

Molecular Properties

Compound Name2-methyl-4-(2-triphenylen-2-ylethynyl)pyridine
PubChem CID126725876
Molecular FormulaC26H17N
Molecular Weight343.43 g/mol
Exact Mass343.14
IUPAC Name2-methyl-4-(2-triphenylen-2-ylethynyl)pyridine
SMILESCc1cc(C#Cc2ccc3c4ccccc4c4ccccc4c3c2)ccn1
InChIInChI=1S/C26H17N/c1-18-16-20(14-15-27-18)11-10-19-12-13-25-23-8-3-2-6-21(23)22-7-4-5-9-24(22)26(25)17-19/h2-9,12-17H,1H3
InChIKeyJIMOTLHYLNFZMR-UHFFFAOYSA-N
XLogP6.25
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.43
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(2-triphenylen-2-ylethynyl)pyridine?
The IUPAC name of 2-methyl-4-(2-triphenylen-2-ylethynyl)pyridine (CID 126725876) is 2-methyl-4-(2-triphenylen-2-ylethynyl)pyridine.
What is the SMILES notation for 2-methyl-4-(2-triphenylen-2-ylethynyl)pyridine?
The canonical SMILES for 2-methyl-4-(2-triphenylen-2-ylethynyl)pyridine is Cc1cc(C#Cc2ccc3c4ccccc4c4ccccc4c3c2)ccn1.
What is the InChIKey of 2-methyl-4-(2-triphenylen-2-ylethynyl)pyridine?
The InChIKey is JIMOTLHYLNFZMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17N/c1-18-16-20(14-15-27-18)11-10-19-12-13-25-23-8-3-2-6-21(23)22-7-4-5-9-24(22)26(25)17-19/h2-9,12-17H,1H3.
What are the key properties of 2-methyl-4-(2-triphenylen-2-ylethynyl)pyridine?
2-methyl-4-(2-triphenylen-2-ylethynyl)pyridine has a molecular weight of 343.43 g/mol, XLogP of 6.25, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(2-triphenylen-2-ylethynyl)pyridine is sourced from PubChem (CID 126725876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).