bis([4-bromo-5-[(2-chloro-4-methylphenyl)carbamoyl]triazol-2-yl]phosphonic acid);[4-bromo-5-[(2-fluoro-4-methylphenyl)carbamoyl]triazol-2-yl]phosphonic acid;bis([4-chloro-5-[(2-chloro-4-methylphenyl)carbamoyl]triazol-2-yl]phosphonic acid);[4-chloro-5-[(2-fluoro-4-methylphenyl)carbamoyl]triazol-2-yl]phosphonic acid

C60H54Br3Cl7F2N24O24P6 — CID 157084739

About bis([4-bromo-5-[(2-chloro-4-methylphenyl)carbamoyl]triazol-2-yl]phosphonic acid);[4-bromo-5-[(2-fluoro-4-methylphenyl)carbamoyl]triazol-2-yl]phosphonic acid;bis([4-chloro-5-[(2-chloro-4-methylphenyl)carbamoyl]triazol-2-yl]phosphonic acid);[4-chloro-5-[(2-fluoro-4-methylphenyl)carbamoyl]triazol-2-yl]phosphonic acid

bis([4-bromo-5-[(2-chloro-4-methylphenyl)carbamoyl]triazol-2-yl]phosphonic acid);[4-bromo-5-[(2-fluoro-4-methylphenyl)carbamoyl]triazol-2-yl]phosphonic acid;bis([4-chloro-5-[(2-chloro-4-methylphenyl)carbamoyl]triazol-2-yl]phosphonic acid);[4-chloro-5-[(2-fluoro-4-methylphenyl)carbamoyl]triazol-2-yl]phosphonic acid (PubChem CID 157084739) has the molecular formula C60H54Br3Cl7F2N24O24P6 and a molecular weight of 2206.96 g/mol. Its IUPAC name is bis([4-bromo-5-[(2-chloro-4-methylphenyl)carbamoyl]triazol-2-yl]phosphonic acid);[4-bromo-5-[(2-fluoro-4-methylphenyl)carbamoyl]triazol-2-yl]phosphonic acid;bis([4-chloro-5-[(2-chloro-4-methylphenyl)carbamoyl]triazol-2-yl]phosphonic acid);[4-chloro-5-[(2-fluoro-4-methylphenyl)carbamoyl]triazol-2-yl]phosphonic acid.

Molecular Properties

• Compound Name: bis([4-bromo-5-[(2-chloro-4-methylphenyl)carbamoyl]triazol-2-yl]phosphonic acid);[4-bromo-5-[(2-fluoro-4-methylphenyl)carbamoyl]triazol-2-yl]phosphonic acid;bis([4-chloro-5-[(2-chloro-4-methylphenyl)carbamoyl]triazol-2-yl]phosphonic acid);[4-chloro-5-[(2-fluoro-4-methylphenyl)carbamoyl]triazol-2-yl]phosphonic acid
• PubChem CID: 157084739
• Molecular Formula: C60H54Br3Cl7F2N24O24P6
• Molecular Weight: 2206.96 g/mol
• Exact Mass: 2199.75
• IUPAC Name: bis([4-bromo-5-[(2-chloro-4-methylphenyl)carbamoyl]triazol-2-yl]phosphonic acid);[4-bromo-5-[(2-fluoro-4-methylphenyl)carbamoyl]triazol-2-yl]phosphonic acid;bis([4-chloro-5-[(2-chloro-4-methylphenyl)carbamoyl]triazol-2-yl]phosphonic acid);[4-chloro-5-[(2-fluoro-4-methylphenyl)carbamoyl]triazol-2-yl]phosphonic acid
• SMILES: Cc1ccc(NC(=O)c2nn(P(=O)(O)O)nc2Br)c(Cl)c1.Cc1ccc(NC(=O)c2nn(P(=O)(O)O)nc2Br)c(Cl)c1.Cc1ccc(NC(=O)c2nn(P(=O)(O)O)nc2Br)c(F)c1.Cc1ccc(NC(=O)c2nn(P(=O)(O)O)nc2Cl)c(Cl)c1.Cc1ccc(NC(=O)c2nn(P(=O)(O)O)nc2Cl)c(Cl)c1.Cc1ccc(NC(=O)c2nn(P(=O)(O)O)nc2Cl)c(F)c1
• InChI: InChI=1S/2C10H9BrClN4O4P.C10H9BrFN4O4P.2C10H9Cl2N4O4P.C10H9ClFN4O4P/c3*1-5-2-3-7(6(12)4-5)13-10(17)8-9(11)15-16(14-8)21(18,19)20;2*1-5-2-3-7(6(11)4-5)13-10(17)8-9(12)15-16(14-8)21(18,19)20;1-5-2-3-7(6(12)4-5)13-10(17)8-9(11)15-16(14-8)21(18,19)20/h6*2-4H,1H3,(H,13,17)(H2,18,19,20)
• InChIKey: ADYQVKIZRGDVFT-UHFFFAOYSA-N
• XLogP: 11.82
• TPSA: 704.04 Ų
• H-Bond Donors: 18
• H-Bond Acceptors: 30
• Rotatable Bonds: 18
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2206.96
LogP ≤ 5	11.82
H-Bond Donors ≤ 5	18
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis([4-bromo-5-[(2-chloro-4-methylphenyl)carbamoyl]triazol-2-yl]phosphonic acid);[4-bromo-5-[(2-fluoro-4-methylphenyl)carbamoyl]triazol-2-yl]phosphonic acid;bis([4-chloro-5-[(2-chloro-4-methylphenyl)carbamoyl]triazol-2-yl]phosphonic acid);[4-chloro-5-[(2-fluoro-4-methylphenyl)carbamoyl]triazol-2-yl]phosphonic acid?

The IUPAC name of bis([4-bromo-5-[(2-chloro-4-methylphenyl)carbamoyl]triazol-2-yl]phosphonic acid);[4-bromo-5-[(2-fluoro-4-methylphenyl)carbamoyl]triazol-2-yl]phosphonic acid;bis([4-chloro-5-[(2-chloro-4-methylphenyl)carbamoyl]triazol-2-yl]phosphonic acid);[4-chloro-5-[(2-fluoro-4-methylphenyl)carbamoyl]triazol-2-yl]phosphonic acid (CID 157084739) is bis([4-bromo-5-[(2-chloro-4-methylphenyl)carbamoyl]triazol-2-yl]phosphonic acid);[4-bromo-5-[(2-fluoro-4-methylphenyl)carbamoyl]triazol-2-yl]phosphonic acid;bis([4-chloro-5-[(2-chloro-4-methylphenyl)carbamoyl]triazol-2-yl]phosphonic acid);[4-chloro-5-[(2-fluoro-4-methylphenyl)carbamoyl]triazol-2-yl]phosphonic acid.

What is the SMILES notation for bis([4-bromo-5-[(2-chloro-4-methylphenyl)carbamoyl]triazol-2-yl]phosphonic acid);[4-bromo-5-[(2-fluoro-4-methylphenyl)carbamoyl]triazol-2-yl]phosphonic acid;bis([4-chloro-5-[(2-chloro-4-methylphenyl)carbamoyl]triazol-2-yl]phosphonic acid);[4-chloro-5-[(2-fluoro-4-methylphenyl)carbamoyl]triazol-2-yl]phosphonic acid?

The canonical SMILES for bis([4-bromo-5-[(2-chloro-4-methylphenyl)carbamoyl]triazol-2-yl]phosphonic acid);[4-bromo-5-[(2-fluoro-4-methylphenyl)carbamoyl]triazol-2-yl]phosphonic acid;bis([4-chloro-5-[(2-chloro-4-methylphenyl)carbamoyl]triazol-2-yl]phosphonic acid);[4-chloro-5-[(2-fluoro-4-methylphenyl)carbamoyl]triazol-2-yl]phosphonic acid is Cc1ccc(NC(=O)c2nn(P(=O)(O)O)nc2Br)c(Cl)c1.Cc1ccc(NC(=O)c2nn(P(=O)(O)O)nc2Br)c(Cl)c1.Cc1ccc(NC(=O)c2nn(P(=O)(O)O)nc2Br)c(F)c1.Cc1ccc(NC(=O)c2nn(P(=O)(O)O)nc2Cl)c(Cl)c1.Cc1ccc(NC(=O)c2nn(P(=O)(O)O)nc2Cl)c(Cl)c1.Cc1ccc(NC(=O)c2nn(P(=O)(O)O)nc2Cl)c(F)c1.

What is the InChIKey of bis([4-bromo-5-[(2-chloro-4-methylphenyl)carbamoyl]triazol-2-yl]phosphonic acid);[4-bromo-5-[(2-fluoro-4-methylphenyl)carbamoyl]triazol-2-yl]phosphonic acid;bis([4-chloro-5-[(2-chloro-4-methylphenyl)carbamoyl]triazol-2-yl]phosphonic acid);[4-chloro-5-[(2-fluoro-4-methylphenyl)carbamoyl]triazol-2-yl]phosphonic acid?

The InChIKey is ADYQVKIZRGDVFT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H9BrClN4O4P.C10H9BrFN4O4P.2C10H9Cl2N4O4P.C10H9ClFN4O4P/c3*1-5-2-3-7(6(12)4-5)13-10(17)8-9(11)15-16(14-8)21(18,19)20;2*1-5-2-3-7(6(11)4-5)13-10(17)8-9(12)15-16(14-8)21(18,19)20;1-5-2-3-7(6(12)4-5)13-10(17)8-9(11)15-16(14-8)21(18,19)20/h6*2-4H,1H3,(H,13,17)(H2,18,19,20).

What are the key properties of bis([4-bromo-5-[(2-chloro-4-methylphenyl)carbamoyl]triazol-2-yl]phosphonic acid);[4-bromo-5-[(2-fluoro-4-methylphenyl)carbamoyl]triazol-2-yl]phosphonic acid;bis([4-chloro-5-[(2-chloro-4-methylphenyl)carbamoyl]triazol-2-yl]phosphonic acid);[4-chloro-5-[(2-fluoro-4-methylphenyl)carbamoyl]triazol-2-yl]phosphonic acid?

bis([4-bromo-5-[(2-chloro-4-methylphenyl)carbamoyl]triazol-2-yl]phosphonic acid);[4-bromo-5-[(2-fluoro-4-methylphenyl)carbamoyl]triazol-2-yl]phosphonic acid;bis([4-chloro-5-[(2-chloro-4-methylphenyl)carbamoyl]triazol-2-yl]phosphonic acid);[4-chloro-5-[(2-fluoro-4-methylphenyl)carbamoyl]triazol-2-yl]phosphonic acid has a molecular weight of 2206.96 g/mol, XLogP of 11.82, 18 rotatable bonds, 18 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for bis([4-bromo-5-[(2-chloro-4-methylphenyl)carbamoyl]triazol-2-yl]phosphonic acid);[4-bromo-5-[(2-fluoro-4-methylphenyl)carbamoyl]triazol-2-yl]phosphonic acid;bis([4-chloro-5-[(2-chloro-4-methylphenyl)carbamoyl]triazol-2-yl]phosphonic acid);[4-chloro-5-[(2-fluoro-4-methylphenyl)carbamoyl]triazol-2-yl]phosphonic acid is sourced from PubChem (CID 157084739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).