2,4-dichloro-6-[(E)-[(4,6-dianilino-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenol

C22H17Cl2N7O — CID 135613850

About 2,4-dichloro-6-[(E)-[(4,6-dianilino-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenol

2,4-dichloro-6-[(E)-[(4,6-dianilino-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenol (PubChem CID 135613850) has the molecular formula C22H17Cl2N7O and a molecular weight of 466.33 g/mol. Its IUPAC name is 2,4-dichloro-6-[(E)-[(4,6-dianilino-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenol.

Molecular Properties

• Compound Name: 2,4-dichloro-6-[(E)-[(4,6-dianilino-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenol
• PubChem CID: 135613850
• Molecular Formula: C22H17Cl2N7O
• Molecular Weight: 466.33 g/mol
• Exact Mass: 465.09
• IUPAC Name: 2,4-dichloro-6-[(E)-[(4,6-dianilino-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenol
• SMILES: Oc1c(Cl)cc(Cl)cc1/C=N/Nc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1
• InChI: InChI=1S/C22H17Cl2N7O/c23-15-11-14(19(32)18(24)12-15)13-25-31-22-29-20(26-16-7-3-1-4-8-16)28-21(30-22)27-17-9-5-2-6-10-17/h1-13,32H,(H3,26,27,28,29,30,31)/b25-13+
• InChIKey: ULRYCWLIRBQNFT-DHRITJCHSA-N
• XLogP: 5.82
• TPSA: 107.35 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	466.33
LogP ≤ 5	5.82
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-[(E)-[(4,6-dianilino-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenol?

The IUPAC name of 2,4-dichloro-6-[(E)-[(4,6-dianilino-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenol (CID 135613850) is 2,4-dichloro-6-[(E)-[(4,6-dianilino-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenol.

What is the SMILES notation for 2,4-dichloro-6-[(E)-[(4,6-dianilino-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenol?

The canonical SMILES for 2,4-dichloro-6-[(E)-[(4,6-dianilino-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenol is Oc1c(Cl)cc(Cl)cc1/C=N/Nc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1.

What is the InChIKey of 2,4-dichloro-6-[(E)-[(4,6-dianilino-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenol?

The InChIKey is ULRYCWLIRBQNFT-DHRITJCHSA-N. The full InChI is InChI=1S/C22H17Cl2N7O/c23-15-11-14(19(32)18(24)12-15)13-25-31-22-29-20(26-16-7-3-1-4-8-16)28-21(30-22)27-17-9-5-2-6-10-17/h1-13,32H,(H3,26,27,28,29,30,31)/b25-13+.

What are the key properties of 2,4-dichloro-6-[(E)-[(4,6-dianilino-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenol?

2,4-dichloro-6-[(E)-[(4,6-dianilino-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenol has a molecular weight of 466.33 g/mol, XLogP of 5.82, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-dichloro-6-[(E)-[(4,6-dianilino-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenol is sourced from PubChem (CID 135613850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).