2,4,6,8-tetramethyl-2,4,6,8-tetraphenyl-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene

C28H32N4P4 — CID 5245894

IUPAC2,4,6,8-tetramethyl-2,4,6,8-tetraphenyl-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene
SMILESCP1(c2ccccc2)=NP(C)(c2ccccc2)=NP(C)(c2ccccc2)=NP(C)(c2ccccc2)=N1
InChIInChI=1S/C28H32N4P4/c1-33(25-17-9-5-10-18-25)29-34(2,26-19-11-6-12-20-26)31-36(4,28-23-15-8-16-24-28)32-35(3,30-33)27-21-13-7-14-22-27/h5-24H,1-4H3
InChIKeyKHEMMSBEOIMRTK-UHFFFAOYSA-N
MW548.49 g/mol
LogP8.29
Rot. Bonds4

About 2,4,6,8-tetramethyl-2,4,6,8-tetraphenyl-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene

2,4,6,8-tetramethyl-2,4,6,8-tetraphenyl-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene (PubChem CID 5245894) has the molecular formula C28H32N4P4 and a molecular weight of 548.49 g/mol. Its IUPAC name is 2,4,6,8-tetramethyl-2,4,6,8-tetraphenyl-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene.

Molecular Properties

Compound Name2,4,6,8-tetramethyl-2,4,6,8-tetraphenyl-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene
PubChem CID5245894
Molecular FormulaC28H32N4P4
Molecular Weight548.49 g/mol
Exact Mass548.16
IUPAC Name2,4,6,8-tetramethyl-2,4,6,8-tetraphenyl-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene
SMILESCP1(c2ccccc2)=NP(C)(c2ccccc2)=NP(C)(c2ccccc2)=NP(C)(c2ccccc2)=N1
InChIInChI=1S/C28H32N4P4/c1-33(25-17-9-5-10-18-25)29-34(2,26-19-11-6-12-20-26)31-36(4,28-23-15-8-16-24-28)32-35(3,30-33)27-21-13-7-14-22-27/h5-24H,1-4H3
InChIKeyKHEMMSBEOIMRTK-UHFFFAOYSA-N
XLogP8.29
TPSA49.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.49
LogP ≤ 58.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2,4,6,8-tetramethyl-2,4,6,8-tetraphenyl-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,4,6,8-tetramethyl-2,4,6,8-tetraphenyl-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene?
The IUPAC name of 2,4,6,8-tetramethyl-2,4,6,8-tetraphenyl-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene (CID 5245894) is 2,4,6,8-tetramethyl-2,4,6,8-tetraphenyl-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-tetramethyl-2,4,6,8-tetraphenyl-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene?
The canonical SMILES for 2,4,6,8-tetramethyl-2,4,6,8-tetraphenyl-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene is CP1(c2ccccc2)=NP(C)(c2ccccc2)=NP(C)(c2ccccc2)=NP(C)(c2ccccc2)=N1.
What is the InChIKey of 2,4,6,8-tetramethyl-2,4,6,8-tetraphenyl-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene?
The InChIKey is KHEMMSBEOIMRTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4P4/c1-33(25-17-9-5-10-18-25)29-34(2,26-19-11-6-12-20-26)31-36(4,28-23-15-8-16-24-28)32-35(3,30-33)27-21-13-7-14-22-27/h5-24H,1-4H3.
What are the key properties of 2,4,6,8-tetramethyl-2,4,6,8-tetraphenyl-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene?
2,4,6,8-tetramethyl-2,4,6,8-tetraphenyl-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene has a molecular weight of 548.49 g/mol, XLogP of 8.29, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6,8-tetramethyl-2,4,6,8-tetraphenyl-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene is sourced from PubChem (CID 5245894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).