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

C30H23N3 — CID 70598858

IUPAC2,4-bis[4-(2-phenylethenyl)phenyl]triazole
SMILESC(=Cc1ccc(-c2cnn(-c3ccc(C=Cc4ccccc4)cc3)n2)cc1)c1ccccc1
InChIInChI=1S/C30H23N3/c1-3-7-24(8-4-1)11-13-26-15-19-28(20-16-26)30-23-31-33(32-30)29-21-17-27(18-22-29)14-12-25-9-5-2-6-10-25/h1-23H
InChIKeyZMZMMJZGGJAWOA-UHFFFAOYSA-N
MW425.54 g/mol
LogP7.28
Rot. Bonds6

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

2,4-bis[4-(2-phenylethenyl)phenyl]triazole (PubChem CID 70598858) has the molecular formula C30H23N3 and a molecular weight of 425.54 g/mol. Its IUPAC name is 2,4-bis[4-(2-phenylethenyl)phenyl]triazole.

Molecular Properties

Compound Name2,4-bis[4-(2-phenylethenyl)phenyl]triazole
PubChem CID70598858
Molecular FormulaC30H23N3
Molecular Weight425.54 g/mol
Exact Mass425.19
IUPAC Name2,4-bis[4-(2-phenylethenyl)phenyl]triazole
SMILESC(=Cc1ccc(-c2cnn(-c3ccc(C=Cc4ccccc4)cc3)n2)cc1)c1ccccc1
InChIInChI=1S/C30H23N3/c1-3-7-24(8-4-1)11-13-26-15-19-28(20-16-26)30-23-31-33(32-30)29-21-17-27(18-22-29)14-12-25-9-5-2-6-10-25/h1-23H
InChIKeyZMZMMJZGGJAWOA-UHFFFAOYSA-N
XLogP7.28
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.54
LogP ≤ 57.28
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 2,4-bis[4-(2-phenylethenyl)phenyl]triazole?
The IUPAC name of 2,4-bis[4-(2-phenylethenyl)phenyl]triazole (CID 70598858) is 2,4-bis[4-(2-phenylethenyl)phenyl]triazole.
What is the SMILES notation for 2,4-bis[4-(2-phenylethenyl)phenyl]triazole?
The canonical SMILES for 2,4-bis[4-(2-phenylethenyl)phenyl]triazole is C(=Cc1ccc(-c2cnn(-c3ccc(C=Cc4ccccc4)cc3)n2)cc1)c1ccccc1.
What is the InChIKey of 2,4-bis[4-(2-phenylethenyl)phenyl]triazole?
The InChIKey is ZMZMMJZGGJAWOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23N3/c1-3-7-24(8-4-1)11-13-26-15-19-28(20-16-26)30-23-31-33(32-30)29-21-17-27(18-22-29)14-12-25-9-5-2-6-10-25/h1-23H.
What are the key properties of 2,4-bis[4-(2-phenylethenyl)phenyl]triazole?
2,4-bis[4-(2-phenylethenyl)phenyl]triazole has a molecular weight of 425.54 g/mol, XLogP of 7.28, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis[4-(2-phenylethenyl)phenyl]triazole is sourced from PubChem (CID 70598858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).