4-(3-chlorophenyl)-2-[2-(3-chlorophenyl)phenyl]triazole

C20H13Cl2N3 — CID 122188133

IUPAC4-(3-chlorophenyl)-2-[2-(3-chlorophenyl)phenyl]triazole
SMILESClc1cccc(-c2cnn(-c3ccccc3-c3cccc(Cl)c3)n2)c1
InChIInChI=1S/C20H13Cl2N3/c21-16-7-3-5-14(11-16)18-9-1-2-10-20(18)25-23-13-19(24-25)15-6-4-8-17(22)12-15/h1-13H
InChIKeyOAHPNCXCTIFYQY-UHFFFAOYSA-N
MW366.25 g/mol
LogP5.91
Rot. Bonds3

About 4-(3-chlorophenyl)-2-[2-(3-chlorophenyl)phenyl]triazole

4-(3-chlorophenyl)-2-[2-(3-chlorophenyl)phenyl]triazole (PubChem CID 122188133) has the molecular formula C20H13Cl2N3 and a molecular weight of 366.25 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-2-[2-(3-chlorophenyl)phenyl]triazole.

Molecular Properties

Compound Name4-(3-chlorophenyl)-2-[2-(3-chlorophenyl)phenyl]triazole
PubChem CID122188133
Molecular FormulaC20H13Cl2N3
Molecular Weight366.25 g/mol
Exact Mass365.05
IUPAC Name4-(3-chlorophenyl)-2-[2-(3-chlorophenyl)phenyl]triazole
SMILESClc1cccc(-c2cnn(-c3ccccc3-c3cccc(Cl)c3)n2)c1
InChIInChI=1S/C20H13Cl2N3/c21-16-7-3-5-14(11-16)18-9-1-2-10-20(18)25-23-13-19(24-25)15-6-4-8-17(22)12-15/h1-13H
InChIKeyOAHPNCXCTIFYQY-UHFFFAOYSA-N
XLogP5.91
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.25
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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4-Phenyl-2-(2-phenylphenyl)triazole
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4-[2-[4-(4-Aminophenyl)triazol-2-yl]phenyl]aniline
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4-[5-chloro-2-(2-phenylethyl)phenyl]-2H-triazole
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4-[3-chloro-2-[(E)-2-phenylethenyl]phenyl]-2H-triazole
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4-[3-chloro-2-[(E)-2-cyclohexylethenyl]phenyl]-2H-triazole
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6-Chloro-4-phenylcinnoline
CID 617608
2-[Bis(4-chlorophenyl)methyl]benzotriazole
CID 4518443
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Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-2-[2-(3-chlorophenyl)phenyl]triazole?
The IUPAC name of 4-(3-chlorophenyl)-2-[2-(3-chlorophenyl)phenyl]triazole (CID 122188133) is 4-(3-chlorophenyl)-2-[2-(3-chlorophenyl)phenyl]triazole.
What is the SMILES notation for 4-(3-chlorophenyl)-2-[2-(3-chlorophenyl)phenyl]triazole?
The canonical SMILES for 4-(3-chlorophenyl)-2-[2-(3-chlorophenyl)phenyl]triazole is Clc1cccc(-c2cnn(-c3ccccc3-c3cccc(Cl)c3)n2)c1.
What is the InChIKey of 4-(3-chlorophenyl)-2-[2-(3-chlorophenyl)phenyl]triazole?
The InChIKey is OAHPNCXCTIFYQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13Cl2N3/c21-16-7-3-5-14(11-16)18-9-1-2-10-20(18)25-23-13-19(24-25)15-6-4-8-17(22)12-15/h1-13H.
What are the key properties of 4-(3-chlorophenyl)-2-[2-(3-chlorophenyl)phenyl]triazole?
4-(3-chlorophenyl)-2-[2-(3-chlorophenyl)phenyl]triazole has a molecular weight of 366.25 g/mol, XLogP of 5.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-2-[2-(3-chlorophenyl)phenyl]triazole is sourced from PubChem (CID 122188133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).