5-(2-phenylphenyl)-3-[[5-(2-phenylphenyl)-1H-1,2,4-triazol-3-yl]disulfanyl]-1H-1,2,4-triazole

C28H20N6S2 — CID 164624541

IUPAC5-(2-phenylphenyl)-3-[[5-(2-phenylphenyl)-1H-1,2,4-triazol-3-yl]disulfanyl]-1H-1,2,4-triazole
SMILESc1ccc(-c2ccccc2-c2nc(SSc3n[nH]c(-c4ccccc4-c4ccccc4)n3)n[nH]2)cc1
InChIInChI=1S/C28H20N6S2/c1-3-11-19(12-4-1)21-15-7-9-17-23(21)25-29-27(33-31-25)35-36-28-30-26(32-34-28)24-18-10-8-16-22(24)20-13-5-2-6-14-20/h1-18H,(H,29,31,33)(H,30,32,34)
InChIKeyGXWRXZRJMKEHCS-UHFFFAOYSA-N
MW504.64 g/mol
LogP7.39
Rot. Bonds7

About 5-(2-phenylphenyl)-3-[[5-(2-phenylphenyl)-1H-1,2,4-triazol-3-yl]disulfanyl]-1H-1,2,4-triazole

5-(2-phenylphenyl)-3-[[5-(2-phenylphenyl)-1H-1,2,4-triazol-3-yl]disulfanyl]-1H-1,2,4-triazole (PubChem CID 164624541) has the molecular formula C28H20N6S2 and a molecular weight of 504.64 g/mol. Its IUPAC name is 5-(2-phenylphenyl)-3-[[5-(2-phenylphenyl)-1H-1,2,4-triazol-3-yl]disulfanyl]-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-(2-phenylphenyl)-3-[[5-(2-phenylphenyl)-1H-1,2,4-triazol-3-yl]disulfanyl]-1H-1,2,4-triazole
PubChem CID164624541
Molecular FormulaC28H20N6S2
Molecular Weight504.64 g/mol
Exact Mass504.12
IUPAC Name5-(2-phenylphenyl)-3-[[5-(2-phenylphenyl)-1H-1,2,4-triazol-3-yl]disulfanyl]-1H-1,2,4-triazole
SMILESc1ccc(-c2ccccc2-c2nc(SSc3n[nH]c(-c4ccccc4-c4ccccc4)n3)n[nH]2)cc1
InChIInChI=1S/C28H20N6S2/c1-3-11-19(12-4-1)21-15-7-9-17-23(21)25-29-27(33-31-25)35-36-28-30-26(32-34-28)24-18-10-8-16-22(24)20-13-5-2-6-14-20/h1-18H,(H,29,31,33)(H,30,32,34)
InChIKeyGXWRXZRJMKEHCS-UHFFFAOYSA-N
XLogP7.39
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.64
LogP ≤ 57.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-(2-phenylphenyl)-3-[[5-(2-phenylphenyl)-1H-1,2,4-triazol-3-yl]disulfanyl]-1H-1,2,4-triazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(2-phenylphenyl)-3-[[5-(2-phenylphenyl)-1H-1,2,4-triazol-3-yl]disulfanyl]-1H-1,2,4-triazole?
The IUPAC name of 5-(2-phenylphenyl)-3-[[5-(2-phenylphenyl)-1H-1,2,4-triazol-3-yl]disulfanyl]-1H-1,2,4-triazole (CID 164624541) is 5-(2-phenylphenyl)-3-[[5-(2-phenylphenyl)-1H-1,2,4-triazol-3-yl]disulfanyl]-1H-1,2,4-triazole.
What is the SMILES notation for 5-(2-phenylphenyl)-3-[[5-(2-phenylphenyl)-1H-1,2,4-triazol-3-yl]disulfanyl]-1H-1,2,4-triazole?
The canonical SMILES for 5-(2-phenylphenyl)-3-[[5-(2-phenylphenyl)-1H-1,2,4-triazol-3-yl]disulfanyl]-1H-1,2,4-triazole is c1ccc(-c2ccccc2-c2nc(SSc3n[nH]c(-c4ccccc4-c4ccccc4)n3)n[nH]2)cc1.
What is the InChIKey of 5-(2-phenylphenyl)-3-[[5-(2-phenylphenyl)-1H-1,2,4-triazol-3-yl]disulfanyl]-1H-1,2,4-triazole?
The InChIKey is GXWRXZRJMKEHCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20N6S2/c1-3-11-19(12-4-1)21-15-7-9-17-23(21)25-29-27(33-31-25)35-36-28-30-26(32-34-28)24-18-10-8-16-22(24)20-13-5-2-6-14-20/h1-18H,(H,29,31,33)(H,30,32,34).
What are the key properties of 5-(2-phenylphenyl)-3-[[5-(2-phenylphenyl)-1H-1,2,4-triazol-3-yl]disulfanyl]-1H-1,2,4-triazole?
5-(2-phenylphenyl)-3-[[5-(2-phenylphenyl)-1H-1,2,4-triazol-3-yl]disulfanyl]-1H-1,2,4-triazole has a molecular weight of 504.64 g/mol, XLogP of 7.39, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-phenylphenyl)-3-[[5-(2-phenylphenyl)-1H-1,2,4-triazol-3-yl]disulfanyl]-1H-1,2,4-triazole is sourced from PubChem (CID 164624541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).