2-methyl-2-(2-methyl-4,4,6,6-tetraphenyl-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-trien-2-yl)-4,4,6,6-tetraphenyl-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene

C50H46N6P6 — CID 23417929

About 2-methyl-2-(2-methyl-4,4,6,6-tetraphenyl-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-trien-2-yl)-4,4,6,6-tetraphenyl-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene

2-methyl-2-(2-methyl-4,4,6,6-tetraphenyl-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-trien-2-yl)-4,4,6,6-tetraphenyl-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene (PubChem CID 23417929) has the molecular formula C50H46N6P6 and a molecular weight of 916.80 g/mol. Its IUPAC name is 2-methyl-2-(2-methyl-4,4,6,6-tetraphenyl-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-trien-2-yl)-4,4,6,6-tetraphenyl-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene.

Molecular Properties

• Compound Name: 2-methyl-2-(2-methyl-4,4,6,6-tetraphenyl-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-trien-2-yl)-4,4,6,6-tetraphenyl-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene
• PubChem CID: 23417929
• Molecular Formula: C50H46N6P6
• Molecular Weight: 916.80 g/mol
• Exact Mass: 916.22
• IUPAC Name: 2-methyl-2-(2-methyl-4,4,6,6-tetraphenyl-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-trien-2-yl)-4,4,6,6-tetraphenyl-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene
• SMILES: CP1(P2(C)=NP(c3ccccc3)(c3ccccc3)=NP(c3ccccc3)(c3ccccc3)=N2)=NP(c2ccccc2)(c2ccccc2)=NP(c2ccccc2)(c2ccccc2)=N1
• InChI: InChI=1S/C50H46N6P6/c1-57(51-59(43-27-11-3-12-28-43,44-29-13-4-14-30-44)55-60(52-57,45-31-15-5-16-32-45)46-33-17-6-18-34-46)58(2)53-61(47-35-19-7-20-36-47,48-37-21-8-22-38-48)56-62(54-58,49-39-23-9-24-40-49)50-41-25-10-26-42-50/h3-42H,1-2H3
• InChIKey: BQLQIHDKACESTR-UHFFFAOYSA-N
• XLogP: 13.49
• TPSA: 74.16 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	916.80
LogP ≤ 5	13.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(2-methyl-4,4,6,6-tetraphenyl-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-trien-2-yl)-4,4,6,6-tetraphenyl-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene?

The IUPAC name of 2-methyl-2-(2-methyl-4,4,6,6-tetraphenyl-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-trien-2-yl)-4,4,6,6-tetraphenyl-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene (CID 23417929) is 2-methyl-2-(2-methyl-4,4,6,6-tetraphenyl-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-trien-2-yl)-4,4,6,6-tetraphenyl-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene.

What is the SMILES notation for 2-methyl-2-(2-methyl-4,4,6,6-tetraphenyl-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-trien-2-yl)-4,4,6,6-tetraphenyl-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene?

The canonical SMILES for 2-methyl-2-(2-methyl-4,4,6,6-tetraphenyl-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-trien-2-yl)-4,4,6,6-tetraphenyl-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene is CP1(P2(C)=NP(c3ccccc3)(c3ccccc3)=NP(c3ccccc3)(c3ccccc3)=N2)=NP(c2ccccc2)(c2ccccc2)=NP(c2ccccc2)(c2ccccc2)=N1.

What is the InChIKey of 2-methyl-2-(2-methyl-4,4,6,6-tetraphenyl-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-trien-2-yl)-4,4,6,6-tetraphenyl-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene?

The InChIKey is BQLQIHDKACESTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H46N6P6/c1-57(51-59(43-27-11-3-12-28-43,44-29-13-4-14-30-44)55-60(52-57,45-31-15-5-16-32-45)46-33-17-6-18-34-46)58(2)53-61(47-35-19-7-20-36-47,48-37-21-8-22-38-48)56-62(54-58,49-39-23-9-24-40-49)50-41-25-10-26-42-50/h3-42H,1-2H3.

What are the key properties of 2-methyl-2-(2-methyl-4,4,6,6-tetraphenyl-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-trien-2-yl)-4,4,6,6-tetraphenyl-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene?

2-methyl-2-(2-methyl-4,4,6,6-tetraphenyl-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-trien-2-yl)-4,4,6,6-tetraphenyl-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene has a molecular weight of 916.80 g/mol, XLogP of 13.49, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-2-(2-methyl-4,4,6,6-tetraphenyl-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-trien-2-yl)-4,4,6,6-tetraphenyl-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene is sourced from PubChem (CID 23417929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).