4-(2-phenylethenyl)-2-[2-(2-phenylethenyl)phenyl]triazole

C24H19N3 — CID 154202576

IUPAC4-(2-phenylethenyl)-2-[2-(2-phenylethenyl)phenyl]triazole
SMILESC(=Cc1cnn(-c2ccccc2C=Cc2ccccc2)n1)c1ccccc1
InChIInChI=1S/C24H19N3/c1-3-9-20(10-4-1)15-17-22-13-7-8-14-24(22)27-25-19-23(26-27)18-16-21-11-5-2-6-12-21/h1-19H
InChIKeyQWMDOTRNNANKOP-UHFFFAOYSA-N
MW349.44 g/mol
LogP5.61
Rot. Bonds5

About 4-(2-phenylethenyl)-2-[2-(2-phenylethenyl)phenyl]triazole

4-(2-phenylethenyl)-2-[2-(2-phenylethenyl)phenyl]triazole (PubChem CID 154202576) has the molecular formula C24H19N3 and a molecular weight of 349.44 g/mol. Its IUPAC name is 4-(2-phenylethenyl)-2-[2-(2-phenylethenyl)phenyl]triazole.

Molecular Properties

Compound Name4-(2-phenylethenyl)-2-[2-(2-phenylethenyl)phenyl]triazole
PubChem CID154202576
Molecular FormulaC24H19N3
Molecular Weight349.44 g/mol
Exact Mass349.16
IUPAC Name4-(2-phenylethenyl)-2-[2-(2-phenylethenyl)phenyl]triazole
SMILESC(=Cc1cnn(-c2ccccc2C=Cc2ccccc2)n1)c1ccccc1
InChIInChI=1S/C24H19N3/c1-3-9-20(10-4-1)15-17-22-13-7-8-14-24(22)27-25-19-23(26-27)18-16-21-11-5-2-6-12-21/h1-19H
InChIKeyQWMDOTRNNANKOP-UHFFFAOYSA-N
XLogP5.61
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.44
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-phenylethenyl)-2-[2-(2-phenylethenyl)phenyl]triazole?
The IUPAC name of 4-(2-phenylethenyl)-2-[2-(2-phenylethenyl)phenyl]triazole (CID 154202576) is 4-(2-phenylethenyl)-2-[2-(2-phenylethenyl)phenyl]triazole.
What is the SMILES notation for 4-(2-phenylethenyl)-2-[2-(2-phenylethenyl)phenyl]triazole?
The canonical SMILES for 4-(2-phenylethenyl)-2-[2-(2-phenylethenyl)phenyl]triazole is C(=Cc1cnn(-c2ccccc2C=Cc2ccccc2)n1)c1ccccc1.
What is the InChIKey of 4-(2-phenylethenyl)-2-[2-(2-phenylethenyl)phenyl]triazole?
The InChIKey is QWMDOTRNNANKOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3/c1-3-9-20(10-4-1)15-17-22-13-7-8-14-24(22)27-25-19-23(26-27)18-16-21-11-5-2-6-12-21/h1-19H.
What are the key properties of 4-(2-phenylethenyl)-2-[2-(2-phenylethenyl)phenyl]triazole?
4-(2-phenylethenyl)-2-[2-(2-phenylethenyl)phenyl]triazole has a molecular weight of 349.44 g/mol, XLogP of 5.61, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenylethenyl)-2-[2-(2-phenylethenyl)phenyl]triazole is sourced from PubChem (CID 154202576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).