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

C36H30F6N6O6P6 — CID 59283717

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

2,4,6,8,10,12-hexafluoro-2,4,6,8,10,12-hexaphenoxy-1,3,5,7,9,11-hexaza-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododeca-1,3,5,7,9,11-hexaene (PubChem CID 59283717) has the molecular formula C36H30F6N6O6P6 and a molecular weight of 942.50 g/mol. Its IUPAC name is 2,4,6,8,10,12-hexafluoro-2,4,6,8,10,12-hexaphenoxy-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: 2,4,6,8,10,12-hexafluoro-2,4,6,8,10,12-hexaphenoxy-1,3,5,7,9,11-hexaza-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododeca-1,3,5,7,9,11-hexaene
• PubChem CID: 59283717
• Molecular Formula: C36H30F6N6O6P6
• Molecular Weight: 942.50 g/mol
• Exact Mass: 942.06
• IUPAC Name: 2,4,6,8,10,12-hexafluoro-2,4,6,8,10,12-hexaphenoxy-1,3,5,7,9,11-hexaza-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododeca-1,3,5,7,9,11-hexaene
• SMILES: FP1(Oc2ccccc2)=NP(F)(Oc2ccccc2)=NP(F)(Oc2ccccc2)=NP(F)(Oc2ccccc2)=NP(F)(Oc2ccccc2)=NP(F)(Oc2ccccc2)=N1
• InChI: InChI=1S/C36H30F6N6O6P6/c37-55(49-31-19-7-1-8-20-31)43-56(38,50-32-21-9-2-10-22-32)45-58(40,52-34-25-13-4-14-26-34)47-60(42,54-36-29-17-6-18-30-36)48-59(41,53-35-27-15-5-16-28-35)46-57(39,44-55)51-33-23-11-3-12-24-33/h1-30H
• InChIKey: BXKPPKWEHVBXDF-UHFFFAOYSA-N
• XLogP: 17.97
• TPSA: 129.54 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 12
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	942.50
LogP ≤ 5	17.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,4,6,8,10,12-hexafluoro-2,4,6,8,10,12-hexaphenoxy-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 2,4,6,8,10,12-hexafluoro-2,4,6,8,10,12-hexaphenoxy-1,3,5,7,9,11-hexaza-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododeca-1,3,5,7,9,11-hexaene (CID 59283717) is 2,4,6,8,10,12-hexafluoro-2,4,6,8,10,12-hexaphenoxy-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 2,4,6,8,10,12-hexafluoro-2,4,6,8,10,12-hexaphenoxy-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 2,4,6,8,10,12-hexafluoro-2,4,6,8,10,12-hexaphenoxy-1,3,5,7,9,11-hexaza-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododeca-1,3,5,7,9,11-hexaene is FP1(Oc2ccccc2)=NP(F)(Oc2ccccc2)=NP(F)(Oc2ccccc2)=NP(F)(Oc2ccccc2)=NP(F)(Oc2ccccc2)=NP(F)(Oc2ccccc2)=N1.

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

The InChIKey is BXKPPKWEHVBXDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H30F6N6O6P6/c37-55(49-31-19-7-1-8-20-31)43-56(38,50-32-21-9-2-10-22-32)45-58(40,52-34-25-13-4-14-26-34)47-60(42,54-36-29-17-6-18-30-36)48-59(41,53-35-27-15-5-16-28-35)46-57(39,44-55)51-33-23-11-3-12-24-33/h1-30H.

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

2,4,6,8,10,12-hexafluoro-2,4,6,8,10,12-hexaphenoxy-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 942.50 g/mol, XLogP of 17.97, 12 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4,6,8,10,12-hexafluoro-2,4,6,8,10,12-hexaphenoxy-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 59283717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).