2,2,4-trifluoro-4,6,6-triphenyl-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene

C18H15F3N3P3 — CID 23417905

About 2,2,4-trifluoro-4,6,6-triphenyl-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene

2,2,4-trifluoro-4,6,6-triphenyl-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene (PubChem CID 23417905) has the molecular formula C18H15F3N3P3 and a molecular weight of 423.26 g/mol. Its IUPAC name is 2,2,4-trifluoro-4,6,6-triphenyl-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene.

Molecular Properties

• Compound Name: 2,2,4-trifluoro-4,6,6-triphenyl-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene
• PubChem CID: 23417905
• Molecular Formula: C18H15F3N3P3
• Molecular Weight: 423.26 g/mol
• Exact Mass: 423.04
• IUPAC Name: 2,2,4-trifluoro-4,6,6-triphenyl-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene
• SMILES: FP1(F)=NP(c2ccccc2)(c2ccccc2)=NP(F)(c2ccccc2)=N1
• InChI: InChI=1S/C18H15F3N3P3/c19-26(18-14-8-3-9-15-18)22-25(23-27(20,21)24-26,16-10-4-1-5-11-16)17-12-6-2-7-13-17/h1-15H
• InChIKey: BQFCXIDBKXVQRJ-UHFFFAOYSA-N
• XLogP: 6.98
• TPSA: 37.08 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	423.26
LogP ≤ 5	6.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 2,2,4-trifluoro-4,6,6-triphenyl-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene (CID 23417905) is 2,2,4-trifluoro-4,6,6-triphenyl-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene.

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

The canonical SMILES for 2,2,4-trifluoro-4,6,6-triphenyl-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene is FP1(F)=NP(c2ccccc2)(c2ccccc2)=NP(F)(c2ccccc2)=N1.

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

The InChIKey is BQFCXIDBKXVQRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N3P3/c19-26(18-14-8-3-9-15-18)22-25(23-27(20,21)24-26,16-10-4-1-5-11-16)17-12-6-2-7-13-17/h1-15H.

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

2,2,4-trifluoro-4,6,6-triphenyl-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene has a molecular weight of 423.26 g/mol, XLogP of 6.98, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2,4-trifluoro-4,6,6-triphenyl-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene is sourced from PubChem (CID 23417905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).