4-phenyl-5-[3-(5-phenyl-2H-triazol-4-yl)phenyl]-2H-triazole

C22H16N6 — CID 118532808

IUPAC4-phenyl-5-[3-(5-phenyl-2H-triazol-4-yl)phenyl]-2H-triazole
SMILESc1ccc(-c2n[nH]nc2-c2cccc(-c3n[nH]nc3-c3ccccc3)c2)cc1
InChIInChI=1S/C22H16N6/c1-3-8-15(9-4-1)19-21(25-27-23-19)17-12-7-13-18(14-17)22-20(24-28-26-22)16-10-5-2-6-11-16/h1-14H,(H,23,25,27)(H,24,26,28)
InChIKeyNLUYRIDNYUECOM-UHFFFAOYSA-N
MW364.41 g/mol
LogP4.59
Rot. Bonds4

About 4-phenyl-5-[3-(5-phenyl-2H-triazol-4-yl)phenyl]-2H-triazole

4-phenyl-5-[3-(5-phenyl-2H-triazol-4-yl)phenyl]-2H-triazole (PubChem CID 118532808) has the molecular formula C22H16N6 and a molecular weight of 364.41 g/mol. Its IUPAC name is 4-phenyl-5-[3-(5-phenyl-2H-triazol-4-yl)phenyl]-2H-triazole.

Molecular Properties

Compound Name4-phenyl-5-[3-(5-phenyl-2H-triazol-4-yl)phenyl]-2H-triazole
PubChem CID118532808
Molecular FormulaC22H16N6
Molecular Weight364.41 g/mol
Exact Mass364.14
IUPAC Name4-phenyl-5-[3-(5-phenyl-2H-triazol-4-yl)phenyl]-2H-triazole
SMILESc1ccc(-c2n[nH]nc2-c2cccc(-c3n[nH]nc3-c3ccccc3)c2)cc1
InChIInChI=1S/C22H16N6/c1-3-8-15(9-4-1)19-21(25-27-23-19)17-12-7-13-18(14-17)22-20(24-28-26-22)16-10-5-2-6-11-16/h1-14H,(H,23,25,27)(H,24,26,28)
InChIKeyNLUYRIDNYUECOM-UHFFFAOYSA-N
XLogP4.59
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-5-[3-(5-phenyl-2H-triazol-4-yl)phenyl]-2H-triazole?
The IUPAC name of 4-phenyl-5-[3-(5-phenyl-2H-triazol-4-yl)phenyl]-2H-triazole (CID 118532808) is 4-phenyl-5-[3-(5-phenyl-2H-triazol-4-yl)phenyl]-2H-triazole.
What is the SMILES notation for 4-phenyl-5-[3-(5-phenyl-2H-triazol-4-yl)phenyl]-2H-triazole?
The canonical SMILES for 4-phenyl-5-[3-(5-phenyl-2H-triazol-4-yl)phenyl]-2H-triazole is c1ccc(-c2n[nH]nc2-c2cccc(-c3n[nH]nc3-c3ccccc3)c2)cc1.
What is the InChIKey of 4-phenyl-5-[3-(5-phenyl-2H-triazol-4-yl)phenyl]-2H-triazole?
The InChIKey is NLUYRIDNYUECOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N6/c1-3-8-15(9-4-1)19-21(25-27-23-19)17-12-7-13-18(14-17)22-20(24-28-26-22)16-10-5-2-6-11-16/h1-14H,(H,23,25,27)(H,24,26,28).
What are the key properties of 4-phenyl-5-[3-(5-phenyl-2H-triazol-4-yl)phenyl]-2H-triazole?
4-phenyl-5-[3-(5-phenyl-2H-triazol-4-yl)phenyl]-2H-triazole has a molecular weight of 364.41 g/mol, XLogP of 4.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-5-[3-(5-phenyl-2H-triazol-4-yl)phenyl]-2H-triazole is sourced from PubChem (CID 118532808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).