2,2,4,4,6,8,10,12-octafluoro-6,8,10,12-tetraphenoxy-1,3,5,7,9,11-hexaza-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododeca-1,3,5,7,9,11-hexaene

C24H20F8N6O4P6 — CID 59283703

About 2,2,4,4,6,8,10,12-octafluoro-6,8,10,12-tetraphenoxy-1,3,5,7,9,11-hexaza-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododeca-1,3,5,7,9,11-hexaene

2,2,4,4,6,8,10,12-octafluoro-6,8,10,12-tetraphenoxy-1,3,5,7,9,11-hexaza-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododeca-1,3,5,7,9,11-hexaene (PubChem CID 59283703) has the molecular formula C24H20F8N6O4P6 and a molecular weight of 794.29 g/mol. Its IUPAC name is 2,2,4,4,6,8,10,12-octafluoro-6,8,10,12-tetraphenoxy-1,3,5,7,9,11-hexaza-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododeca-1,3,5,7,9,11-hexaene.

Molecular Properties

• Compound Name: 2,2,4,4,6,8,10,12-octafluoro-6,8,10,12-tetraphenoxy-1,3,5,7,9,11-hexaza-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododeca-1,3,5,7,9,11-hexaene
• PubChem CID: 59283703
• Molecular Formula: C24H20F8N6O4P6
• Molecular Weight: 794.29 g/mol
• Exact Mass: 793.98
• IUPAC Name: 2,2,4,4,6,8,10,12-octafluoro-6,8,10,12-tetraphenoxy-1,3,5,7,9,11-hexaza-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododeca-1,3,5,7,9,11-hexaene
• SMILES: FP1(F)=NP(F)(F)=NP(F)(Oc2ccccc2)=NP(F)(Oc2ccccc2)=NP(F)(Oc2ccccc2)=NP(F)(Oc2ccccc2)=N1
• InChI: InChI=1S/C24H20F8N6O4P6/c25-43(26)33-44(27,28)35-46(30,40-22-15-7-2-8-16-22)37-48(32,42-24-19-11-4-12-20-24)38-47(31,41-23-17-9-3-10-18-23)36-45(29,34-43)39-21-13-5-1-6-14-21/h1-20H
• InChIKey: JVHOLEMIJIXNHZ-UHFFFAOYSA-N
• XLogP: 15.75
• TPSA: 111.08 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	794.29
LogP ≤ 5	15.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,2,4,4,6,8,10,12-octafluoro-6,8,10,12-tetraphenoxy-1,3,5,7,9,11-hexaza-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododeca-1,3,5,7,9,11-hexaene?

The IUPAC name of 2,2,4,4,6,8,10,12-octafluoro-6,8,10,12-tetraphenoxy-1,3,5,7,9,11-hexaza-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododeca-1,3,5,7,9,11-hexaene (CID 59283703) is 2,2,4,4,6,8,10,12-octafluoro-6,8,10,12-tetraphenoxy-1,3,5,7,9,11-hexaza-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododeca-1,3,5,7,9,11-hexaene.

What is the SMILES notation for 2,2,4,4,6,8,10,12-octafluoro-6,8,10,12-tetraphenoxy-1,3,5,7,9,11-hexaza-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododeca-1,3,5,7,9,11-hexaene?

The canonical SMILES for 2,2,4,4,6,8,10,12-octafluoro-6,8,10,12-tetraphenoxy-1,3,5,7,9,11-hexaza-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododeca-1,3,5,7,9,11-hexaene is FP1(F)=NP(F)(F)=NP(F)(Oc2ccccc2)=NP(F)(Oc2ccccc2)=NP(F)(Oc2ccccc2)=NP(F)(Oc2ccccc2)=N1.

What is the InChIKey of 2,2,4,4,6,8,10,12-octafluoro-6,8,10,12-tetraphenoxy-1,3,5,7,9,11-hexaza-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododeca-1,3,5,7,9,11-hexaene?

The InChIKey is JVHOLEMIJIXNHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F8N6O4P6/c25-43(26)33-44(27,28)35-46(30,40-22-15-7-2-8-16-22)37-48(32,42-24-19-11-4-12-20-24)38-47(31,41-23-17-9-3-10-18-23)36-45(29,34-43)39-21-13-5-1-6-14-21/h1-20H.

What are the key properties of 2,2,4,4,6,8,10,12-octafluoro-6,8,10,12-tetraphenoxy-1,3,5,7,9,11-hexaza-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododeca-1,3,5,7,9,11-hexaene?

2,2,4,4,6,8,10,12-octafluoro-6,8,10,12-tetraphenoxy-1,3,5,7,9,11-hexaza-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododeca-1,3,5,7,9,11-hexaene has a molecular weight of 794.29 g/mol, XLogP of 15.75, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2,4,4,6,8,10,12-octafluoro-6,8,10,12-tetraphenoxy-1,3,5,7,9,11-hexaza-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododeca-1,3,5,7,9,11-hexaene is sourced from PubChem (CID 59283703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).