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

C24H19N3 — CID 70412416

IUPAC4-[2-[4-[4-(2-phenylethenyl)phenyl]phenyl]ethenyl]-2H-triazole
SMILESC(=Cc1ccc(-c2ccc(C=Cc3cn[nH]n3)cc2)cc1)c1ccccc1
InChIInChI=1S/C24H19N3/c1-2-4-19(5-3-1)6-7-20-8-13-22(14-9-20)23-15-10-21(11-16-23)12-17-24-18-25-27-26-24/h1-18H,(H,25,26,27)
InChIKeyADJNIFGQZHGQTF-UHFFFAOYSA-N
MW349.44 g/mol
LogP5.81
Rot. Bonds5

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

4-[2-[4-[4-(2-phenylethenyl)phenyl]phenyl]ethenyl]-2H-triazole (PubChem CID 70412416) has the molecular formula C24H19N3 and a molecular weight of 349.44 g/mol. Its IUPAC name is 4-[2-[4-[4-(2-phenylethenyl)phenyl]phenyl]ethenyl]-2H-triazole.

Molecular Properties

Compound Name4-[2-[4-[4-(2-phenylethenyl)phenyl]phenyl]ethenyl]-2H-triazole
PubChem CID70412416
Molecular FormulaC24H19N3
Molecular Weight349.44 g/mol
Exact Mass349.16
IUPAC Name4-[2-[4-[4-(2-phenylethenyl)phenyl]phenyl]ethenyl]-2H-triazole
SMILESC(=Cc1ccc(-c2ccc(C=Cc3cn[nH]n3)cc2)cc1)c1ccccc1
InChIInChI=1S/C24H19N3/c1-2-4-19(5-3-1)6-7-20-8-13-22(14-9-20)23-15-10-21(11-16-23)12-17-24-18-25-27-26-24/h1-18H,(H,25,26,27)
InChIKeyADJNIFGQZHGQTF-UHFFFAOYSA-N
XLogP5.81
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.44
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[2-[4-(4-methoxyphenyl)phenyl]ethenyl]-2H-triazole
CID 158018374
4-[(E)-2-[4-(3-chlorophenyl)phenyl]ethenyl]-2H-triazole
CID 155653363
4-[(E)-2-(4-bromophenyl)ethenyl]-2H-triazole
CID 155653556
4-[(E)-2-[4-(4-ethoxyphenyl)phenyl]ethenyl]-2H-triazole
CID 155653551
4-[(E)-2-[4-[4-(trifluoromethylsulfanyl)phenyl]phenyl]ethenyl]-2H-triazole
CID 155653503
carbon dioxide;4-[4-[2-(2H-triazol-4-yl)ethenyl]phenyl]benzonitrile
CID 176537603
carbon dioxide;4-[2-[4-(4-ethoxyphenyl)phenyl]ethenyl]-2H-triazole
CID 176548106
2-[2-(4-phenylphenyl)ethenyl]pyridine
CID 66775790
carbon dioxide;4-[2-(2-chlorophenyl)ethenyl]-2H-triazole
CID 176538051
carbanide;ethane;methane;1-(2-phenylethenyl)-4-[4-(2-phenylethenyl)phenyl]benzene;propane;yttrium
CID 159447885
4-[(Z)-2-(5-phenyl-2-pyridinyl)ethenyl]benzaldehyde
CID 101496464
4-[3-chloro-2-[(E)-2-phenylethenyl]phenyl]-2H-triazole
CID 155556964

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[4-(2-phenylethenyl)phenyl]phenyl]ethenyl]-2H-triazole?
The IUPAC name of 4-[2-[4-[4-(2-phenylethenyl)phenyl]phenyl]ethenyl]-2H-triazole (CID 70412416) is 4-[2-[4-[4-(2-phenylethenyl)phenyl]phenyl]ethenyl]-2H-triazole.
What is the SMILES notation for 4-[2-[4-[4-(2-phenylethenyl)phenyl]phenyl]ethenyl]-2H-triazole?
The canonical SMILES for 4-[2-[4-[4-(2-phenylethenyl)phenyl]phenyl]ethenyl]-2H-triazole is C(=Cc1ccc(-c2ccc(C=Cc3cn[nH]n3)cc2)cc1)c1ccccc1.
What is the InChIKey of 4-[2-[4-[4-(2-phenylethenyl)phenyl]phenyl]ethenyl]-2H-triazole?
The InChIKey is ADJNIFGQZHGQTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3/c1-2-4-19(5-3-1)6-7-20-8-13-22(14-9-20)23-15-10-21(11-16-23)12-17-24-18-25-27-26-24/h1-18H,(H,25,26,27).
What are the key properties of 4-[2-[4-[4-(2-phenylethenyl)phenyl]phenyl]ethenyl]-2H-triazole?
4-[2-[4-[4-(2-phenylethenyl)phenyl]phenyl]ethenyl]-2H-triazole has a molecular weight of 349.44 g/mol, XLogP of 5.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[4-(2-phenylethenyl)phenyl]phenyl]ethenyl]-2H-triazole is sourced from PubChem (CID 70412416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).