2,4,6,8-tetramethoxy-2,4,6,8-tetrakis(3-methylphenoxy)-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene

C32H40N4O8P4 — CID 139877859

About 2,4,6,8-tetramethoxy-2,4,6,8-tetrakis(3-methylphenoxy)-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene

2,4,6,8-tetramethoxy-2,4,6,8-tetrakis(3-methylphenoxy)-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene (PubChem CID 139877859) has the molecular formula C32H40N4O8P4 and a molecular weight of 732.59 g/mol. Its IUPAC name is 2,4,6,8-tetramethoxy-2,4,6,8-tetrakis(3-methylphenoxy)-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene.

Molecular Properties

• Compound Name: 2,4,6,8-tetramethoxy-2,4,6,8-tetrakis(3-methylphenoxy)-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene
• PubChem CID: 139877859
• Molecular Formula: C32H40N4O8P4
• Molecular Weight: 732.59 g/mol
• Exact Mass: 732.18
• IUPAC Name: 2,4,6,8-tetramethoxy-2,4,6,8-tetrakis(3-methylphenoxy)-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene
• SMILES: COP1(Oc2cccc(C)c2)=NP(OC)(Oc2cccc(C)c2)=NP(OC)(Oc2cccc(C)c2)=NP(OC)(Oc2cccc(C)c2)=N1
• InChI: InChI=1S/C32H40N4O8P4/c1-25-13-9-17-29(21-25)41-45(37-5)33-46(38-6,42-30-18-10-14-26(2)22-30)35-48(40-8,44-32-20-12-16-28(4)24-32)36-47(34-45,39-7)43-31-19-11-15-27(3)23-31/h9-24H,1-8H3
• InChIKey: REGMYCGGZOBFLC-UHFFFAOYSA-N
• XLogP: 11.92
• TPSA: 123.28 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 12
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	732.59
LogP ≤ 5	11.92
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-tetramethoxy-2,4,6,8-tetrakis(3-methylphenoxy)-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene?

The IUPAC name of 2,4,6,8-tetramethoxy-2,4,6,8-tetrakis(3-methylphenoxy)-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene (CID 139877859) is 2,4,6,8-tetramethoxy-2,4,6,8-tetrakis(3-methylphenoxy)-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene.

What is the SMILES notation for 2,4,6,8-tetramethoxy-2,4,6,8-tetrakis(3-methylphenoxy)-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene?

The canonical SMILES for 2,4,6,8-tetramethoxy-2,4,6,8-tetrakis(3-methylphenoxy)-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene is COP1(Oc2cccc(C)c2)=NP(OC)(Oc2cccc(C)c2)=NP(OC)(Oc2cccc(C)c2)=NP(OC)(Oc2cccc(C)c2)=N1.

What is the InChIKey of 2,4,6,8-tetramethoxy-2,4,6,8-tetrakis(3-methylphenoxy)-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene?

The InChIKey is REGMYCGGZOBFLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H40N4O8P4/c1-25-13-9-17-29(21-25)41-45(37-5)33-46(38-6,42-30-18-10-14-26(2)22-30)35-48(40-8,44-32-20-12-16-28(4)24-32)36-47(34-45,39-7)43-31-19-11-15-27(3)23-31/h9-24H,1-8H3.

What are the key properties of 2,4,6,8-tetramethoxy-2,4,6,8-tetrakis(3-methylphenoxy)-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene?

2,4,6,8-tetramethoxy-2,4,6,8-tetrakis(3-methylphenoxy)-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene has a molecular weight of 732.59 g/mol, XLogP of 11.92, 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-tetramethoxy-2,4,6,8-tetrakis(3-methylphenoxy)-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene is sourced from PubChem (CID 139877859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).