2,4,6-triethoxy-2,4,6-triphenoxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene

C24H30N3O6P3 — CID 68558324

About 2,4,6-triethoxy-2,4,6-triphenoxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene

2,4,6-triethoxy-2,4,6-triphenoxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene (PubChem CID 68558324) has the molecular formula C24H30N3O6P3 and a molecular weight of 549.44 g/mol. Its IUPAC name is 2,4,6-triethoxy-2,4,6-triphenoxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene.

Molecular Properties

• Compound Name: 2,4,6-triethoxy-2,4,6-triphenoxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene
• PubChem CID: 68558324
• Molecular Formula: C24H30N3O6P3
• Molecular Weight: 549.44 g/mol
• Exact Mass: 549.13
• IUPAC Name: 2,4,6-triethoxy-2,4,6-triphenoxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene
• SMILES: CCOP1(Oc2ccccc2)=NP(OCC)(Oc2ccccc2)=NP(OCC)(Oc2ccccc2)=N1
• InChI: InChI=1S/C24H30N3O6P3/c1-4-28-34(31-22-16-10-7-11-17-22)25-35(29-5-2,32-23-18-12-8-13-19-23)27-36(26-34,30-6-3)33-24-20-14-9-15-21-24/h7-21H,4-6H2,1-3H3
• InChIKey: SHFRRGIYIRMMRA-UHFFFAOYSA-N
• XLogP: 9.19
• TPSA: 92.46 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 12
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	549.44
LogP ≤ 5	9.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,4,6-triethoxy-2,4,6-triphenoxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene?

The IUPAC name of 2,4,6-triethoxy-2,4,6-triphenoxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene (CID 68558324) is 2,4,6-triethoxy-2,4,6-triphenoxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene.

What is the SMILES notation for 2,4,6-triethoxy-2,4,6-triphenoxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene?

The canonical SMILES for 2,4,6-triethoxy-2,4,6-triphenoxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene is CCOP1(Oc2ccccc2)=NP(OCC)(Oc2ccccc2)=NP(OCC)(Oc2ccccc2)=N1.

What is the InChIKey of 2,4,6-triethoxy-2,4,6-triphenoxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene?

The InChIKey is SHFRRGIYIRMMRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N3O6P3/c1-4-28-34(31-22-16-10-7-11-17-22)25-35(29-5-2,32-23-18-12-8-13-19-23)27-36(26-34,30-6-3)33-24-20-14-9-15-21-24/h7-21H,4-6H2,1-3H3.

What are the key properties of 2,4,6-triethoxy-2,4,6-triphenoxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene?

2,4,6-triethoxy-2,4,6-triphenoxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene has a molecular weight of 549.44 g/mol, XLogP of 9.19, 12 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4,6-triethoxy-2,4,6-triphenoxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene is sourced from PubChem (CID 68558324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).