1-[4-[(E)-2-(3-methoxyphenyl)ethenyl]phenyl]-4-phenyltriazole

C23H19N3O — CID 175596970

IUPAC1-[4-[(E)-2-(3-methoxyphenyl)ethenyl]phenyl]-4-phenyltriazole
SMILESCOc1cccc(/C=C/c2ccc(-n3cc(-c4ccccc4)nn3)cc2)c1
InChIInChI=1S/C23H19N3O/c1-27-22-9-5-6-19(16-22)11-10-18-12-14-21(15-13-18)26-17-23(24-25-26)20-7-3-2-4-8-20/h2-17H,1H3/b11-10+
InChIKeyKZPVQQSKTZXLFW-ZHACJKMWSA-N
MW353.43 g/mol
LogP5.11
Rot. Bonds5

About 1-[4-[(E)-2-(3-methoxyphenyl)ethenyl]phenyl]-4-phenyltriazole

1-[4-[(E)-2-(3-methoxyphenyl)ethenyl]phenyl]-4-phenyltriazole (PubChem CID 175596970) has the molecular formula C23H19N3O and a molecular weight of 353.43 g/mol. Its IUPAC name is 1-[4-[(E)-2-(3-methoxyphenyl)ethenyl]phenyl]-4-phenyltriazole.

Molecular Properties

Compound Name1-[4-[(E)-2-(3-methoxyphenyl)ethenyl]phenyl]-4-phenyltriazole
PubChem CID175596970
Molecular FormulaC23H19N3O
Molecular Weight353.43 g/mol
Exact Mass353.15
IUPAC Name1-[4-[(E)-2-(3-methoxyphenyl)ethenyl]phenyl]-4-phenyltriazole
SMILESCOc1cccc(/C=C/c2ccc(-n3cc(-c4ccccc4)nn3)cc2)c1
InChIInChI=1S/C23H19N3O/c1-27-22-9-5-6-19(16-22)11-10-18-12-14-21(15-13-18)26-17-23(24-25-26)20-7-3-2-4-8-20/h2-17H,1H3/b11-10+
InChIKeyKZPVQQSKTZXLFW-ZHACJKMWSA-N
XLogP5.11
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.43
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(E)-2-(3-methoxyphenyl)ethenyl]phenyl]-4-phenyltriazole?
The IUPAC name of 1-[4-[(E)-2-(3-methoxyphenyl)ethenyl]phenyl]-4-phenyltriazole (CID 175596970) is 1-[4-[(E)-2-(3-methoxyphenyl)ethenyl]phenyl]-4-phenyltriazole.
What is the SMILES notation for 1-[4-[(E)-2-(3-methoxyphenyl)ethenyl]phenyl]-4-phenyltriazole?
The canonical SMILES for 1-[4-[(E)-2-(3-methoxyphenyl)ethenyl]phenyl]-4-phenyltriazole is COc1cccc(/C=C/c2ccc(-n3cc(-c4ccccc4)nn3)cc2)c1.
What is the InChIKey of 1-[4-[(E)-2-(3-methoxyphenyl)ethenyl]phenyl]-4-phenyltriazole?
The InChIKey is KZPVQQSKTZXLFW-ZHACJKMWSA-N. The full InChI is InChI=1S/C23H19N3O/c1-27-22-9-5-6-19(16-22)11-10-18-12-14-21(15-13-18)26-17-23(24-25-26)20-7-3-2-4-8-20/h2-17H,1H3/b11-10+.
What are the key properties of 1-[4-[(E)-2-(3-methoxyphenyl)ethenyl]phenyl]-4-phenyltriazole?
1-[4-[(E)-2-(3-methoxyphenyl)ethenyl]phenyl]-4-phenyltriazole has a molecular weight of 353.43 g/mol, XLogP of 5.11, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(E)-2-(3-methoxyphenyl)ethenyl]phenyl]-4-phenyltriazole is sourced from PubChem (CID 175596970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).