2,2,4,4-tetrachloro-6,6-diphenoxy-1,3,5-triaza-2lambda5,4lambda5,6lambda5-triphosphacyclohexa-1,3,5-triene

C12H10Cl4N3O2P3 — CID 14366454

About 2,2,4,4-tetrachloro-6,6-diphenoxy-1,3,5-triaza-2lambda5,4lambda5,6lambda5-triphosphacyclohexa-1,3,5-triene

2,2,4,4-tetrachloro-6,6-diphenoxy-1,3,5-triaza-2lambda5,4lambda5,6lambda5-triphosphacyclohexa-1,3,5-triene (PubChem CID 14366454) has the molecular formula C12H10Cl4N3O2P3 and a molecular weight of 462.97 g/mol. Its IUPAC name is 2,2,4,4-tetrachloro-6,6-diphenoxy-1,3,5-triaza-2lambda5,4lambda5,6lambda5-triphosphacyclohexa-1,3,5-triene.

Molecular Properties

• Compound Name: 2,2,4,4-tetrachloro-6,6-diphenoxy-1,3,5-triaza-2lambda5,4lambda5,6lambda5-triphosphacyclohexa-1,3,5-triene
• PubChem CID: 14366454
• Molecular Formula: C12H10Cl4N3O2P3
• Molecular Weight: 462.97 g/mol
• Exact Mass: 460.87
• IUPAC Name: 2,2,4,4-tetrachloro-6,6-diphenoxy-1,3,5-triaza-2lambda5,4lambda5,6lambda5-triphosphacyclohexa-1,3,5-triene
• SMILES: ClP1(Cl)=NP(Cl)(Cl)=NP(Oc2ccccc2)(Oc2ccccc2)=N1
• InChI: InChI=1S/C12H10Cl4N3O2P3/c13-22(14)17-23(15,16)19-24(18-22,20-11-7-3-1-4-8-11)21-12-9-5-2-6-10-12/h1-10H
• InChIKey: FANUSMOSIQERIX-UHFFFAOYSA-N
• XLogP: 8.95
• TPSA: 55.54 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	462.97
LogP ≤ 5	8.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,2,4,4-tetrachloro-6,6-diphenoxy-1,3,5-triaza-2lambda5,4lambda5,6lambda5-triphosphacyclohexa-1,3,5-triene?

The IUPAC name of 2,2,4,4-tetrachloro-6,6-diphenoxy-1,3,5-triaza-2lambda5,4lambda5,6lambda5-triphosphacyclohexa-1,3,5-triene (CID 14366454) is 2,2,4,4-tetrachloro-6,6-diphenoxy-1,3,5-triaza-2lambda5,4lambda5,6lambda5-triphosphacyclohexa-1,3,5-triene.

What is the SMILES notation for 2,2,4,4-tetrachloro-6,6-diphenoxy-1,3,5-triaza-2lambda5,4lambda5,6lambda5-triphosphacyclohexa-1,3,5-triene?

The canonical SMILES for 2,2,4,4-tetrachloro-6,6-diphenoxy-1,3,5-triaza-2lambda5,4lambda5,6lambda5-triphosphacyclohexa-1,3,5-triene is ClP1(Cl)=NP(Cl)(Cl)=NP(Oc2ccccc2)(Oc2ccccc2)=N1.

What is the InChIKey of 2,2,4,4-tetrachloro-6,6-diphenoxy-1,3,5-triaza-2lambda5,4lambda5,6lambda5-triphosphacyclohexa-1,3,5-triene?

The InChIKey is FANUSMOSIQERIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl4N3O2P3/c13-22(14)17-23(15,16)19-24(18-22,20-11-7-3-1-4-8-11)21-12-9-5-2-6-10-12/h1-10H.

What are the key properties of 2,2,4,4-tetrachloro-6,6-diphenoxy-1,3,5-triaza-2lambda5,4lambda5,6lambda5-triphosphacyclohexa-1,3,5-triene?

2,2,4,4-tetrachloro-6,6-diphenoxy-1,3,5-triaza-2lambda5,4lambda5,6lambda5-triphosphacyclohexa-1,3,5-triene has a molecular weight of 462.97 g/mol, XLogP of 8.95, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2,4,4-tetrachloro-6,6-diphenoxy-1,3,5-triaza-2lambda5,4lambda5,6lambda5-triphosphacyclohexa-1,3,5-triene is sourced from PubChem (CID 14366454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).