2,2,6-trichloro-4,4,6,8,8-pentaphenoxy-1,3,5,7-tetraza-2lambda5,4lambda5,6lambda5,8lambda5-tetraphosphacycloocta-1,3,5,7-tetraene

C30H25Cl3N4O5P4 — CID 15567408

About 2,2,6-trichloro-4,4,6,8,8-pentaphenoxy-1,3,5,7-tetraza-2lambda5,4lambda5,6lambda5,8lambda5-tetraphosphacycloocta-1,3,5,7-tetraene

2,2,6-trichloro-4,4,6,8,8-pentaphenoxy-1,3,5,7-tetraza-2lambda5,4lambda5,6lambda5,8lambda5-tetraphosphacycloocta-1,3,5,7-tetraene (PubChem CID 15567408) has the molecular formula C30H25Cl3N4O5P4 and a molecular weight of 751.81 g/mol. Its IUPAC name is 2,2,6-trichloro-4,4,6,8,8-pentaphenoxy-1,3,5,7-tetraza-2lambda5,4lambda5,6lambda5,8lambda5-tetraphosphacycloocta-1,3,5,7-tetraene.

Molecular Properties

• Compound Name: 2,2,6-trichloro-4,4,6,8,8-pentaphenoxy-1,3,5,7-tetraza-2lambda5,4lambda5,6lambda5,8lambda5-tetraphosphacycloocta-1,3,5,7-tetraene
• PubChem CID: 15567408
• Molecular Formula: C30H25Cl3N4O5P4
• Molecular Weight: 751.81 g/mol
• Exact Mass: 749.98
• IUPAC Name: 2,2,6-trichloro-4,4,6,8,8-pentaphenoxy-1,3,5,7-tetraza-2lambda5,4lambda5,6lambda5,8lambda5-tetraphosphacycloocta-1,3,5,7-tetraene
• SMILES: ClP1(Cl)=NP(Oc2ccccc2)(Oc2ccccc2)=NP(Cl)(Oc2ccccc2)=NP(Oc2ccccc2)(Oc2ccccc2)=N1
• InChI: InChI=1S/C30H25Cl3N4O5P4/c31-43(32)34-45(39-27-18-8-2-9-19-27,40-28-20-10-3-11-21-28)36-44(33,38-26-16-6-1-7-17-26)37-46(35-43,41-29-22-12-4-13-23-29)42-30-24-14-5-15-25-30/h1-25H
• InChIKey: JSDDSJHTPXJDSL-UHFFFAOYSA-N
• XLogP: 13.90
• TPSA: 95.59 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	751.81
LogP ≤ 5	13.90
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 2,2,6-trichloro-4,4,6,8,8-pentaphenoxy-1,3,5,7-tetraza-2lambda5,4lambda5,6lambda5,8lambda5-tetraphosphacycloocta-1,3,5,7-tetraene?

The IUPAC name of 2,2,6-trichloro-4,4,6,8,8-pentaphenoxy-1,3,5,7-tetraza-2lambda5,4lambda5,6lambda5,8lambda5-tetraphosphacycloocta-1,3,5,7-tetraene (CID 15567408) is 2,2,6-trichloro-4,4,6,8,8-pentaphenoxy-1,3,5,7-tetraza-2lambda5,4lambda5,6lambda5,8lambda5-tetraphosphacycloocta-1,3,5,7-tetraene.

What is the SMILES notation for 2,2,6-trichloro-4,4,6,8,8-pentaphenoxy-1,3,5,7-tetraza-2lambda5,4lambda5,6lambda5,8lambda5-tetraphosphacycloocta-1,3,5,7-tetraene?

The canonical SMILES for 2,2,6-trichloro-4,4,6,8,8-pentaphenoxy-1,3,5,7-tetraza-2lambda5,4lambda5,6lambda5,8lambda5-tetraphosphacycloocta-1,3,5,7-tetraene is ClP1(Cl)=NP(Oc2ccccc2)(Oc2ccccc2)=NP(Cl)(Oc2ccccc2)=NP(Oc2ccccc2)(Oc2ccccc2)=N1.

What is the InChIKey of 2,2,6-trichloro-4,4,6,8,8-pentaphenoxy-1,3,5,7-tetraza-2lambda5,4lambda5,6lambda5,8lambda5-tetraphosphacycloocta-1,3,5,7-tetraene?

The InChIKey is JSDDSJHTPXJDSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25Cl3N4O5P4/c31-43(32)34-45(39-27-18-8-2-9-19-27,40-28-20-10-3-11-21-28)36-44(33,38-26-16-6-1-7-17-26)37-46(35-43,41-29-22-12-4-13-23-29)42-30-24-14-5-15-25-30/h1-25H.

What are the key properties of 2,2,6-trichloro-4,4,6,8,8-pentaphenoxy-1,3,5,7-tetraza-2lambda5,4lambda5,6lambda5,8lambda5-tetraphosphacycloocta-1,3,5,7-tetraene?

2,2,6-trichloro-4,4,6,8,8-pentaphenoxy-1,3,5,7-tetraza-2lambda5,4lambda5,6lambda5,8lambda5-tetraphosphacycloocta-1,3,5,7-tetraene has a molecular weight of 751.81 g/mol, XLogP of 13.90, 10 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2,6-trichloro-4,4,6,8,8-pentaphenoxy-1,3,5,7-tetraza-2lambda5,4lambda5,6lambda5,8lambda5-tetraphosphacycloocta-1,3,5,7-tetraene is sourced from PubChem (CID 15567408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).