N,N,2-trimethyl-4,4,6,6-tetraphenyl-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-trien-2-amine

C27H29N4P3 — CID 23419244

About N,N,2-trimethyl-4,4,6,6-tetraphenyl-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-trien-2-amine

N,N,2-trimethyl-4,4,6,6-tetraphenyl-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-trien-2-amine (PubChem CID 23419244) has the molecular formula C27H29N4P3 and a molecular weight of 502.48 g/mol. Its IUPAC name is N,N,2-trimethyl-4,4,6,6-tetraphenyl-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-trien-2-amine.

Molecular Properties

• Compound Name: N,N,2-trimethyl-4,4,6,6-tetraphenyl-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-trien-2-amine
• PubChem CID: 23419244
• Molecular Formula: C27H29N4P3
• Molecular Weight: 502.48 g/mol
• Exact Mass: 502.16
• IUPAC Name: N,N,2-trimethyl-4,4,6,6-tetraphenyl-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-trien-2-amine
• SMILES: CN(C)P1(C)=NP(c2ccccc2)(c2ccccc2)=NP(c2ccccc2)(c2ccccc2)=N1
• InChI: InChI=1S/C27H29N4P3/c1-31(2)32(3)28-33(24-16-8-4-9-17-24,25-18-10-5-11-19-25)30-34(29-32,26-20-12-6-13-21-26)27-22-14-7-15-23-27/h4-23H,1-3H3
• InChIKey: UAASIQFKHCYZGF-UHFFFAOYSA-N
• XLogP: 6.76
• TPSA: 40.32 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	502.48
LogP ≤ 5	6.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N,N,2-trimethyl-4,4,6,6-tetraphenyl-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-trien-2-amine?

The IUPAC name of N,N,2-trimethyl-4,4,6,6-tetraphenyl-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-trien-2-amine (CID 23419244) is N,N,2-trimethyl-4,4,6,6-tetraphenyl-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-trien-2-amine.

What is the SMILES notation for N,N,2-trimethyl-4,4,6,6-tetraphenyl-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-trien-2-amine?

The canonical SMILES for N,N,2-trimethyl-4,4,6,6-tetraphenyl-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-trien-2-amine is CN(C)P1(C)=NP(c2ccccc2)(c2ccccc2)=NP(c2ccccc2)(c2ccccc2)=N1.

What is the InChIKey of N,N,2-trimethyl-4,4,6,6-tetraphenyl-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-trien-2-amine?

The InChIKey is UAASIQFKHCYZGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N4P3/c1-31(2)32(3)28-33(24-16-8-4-9-17-24,25-18-10-5-11-19-25)30-34(29-32,26-20-12-6-13-21-26)27-22-14-7-15-23-27/h4-23H,1-3H3.

What are the key properties of N,N,2-trimethyl-4,4,6,6-tetraphenyl-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-trien-2-amine?

N,N,2-trimethyl-4,4,6,6-tetraphenyl-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-trien-2-amine has a molecular weight of 502.48 g/mol, XLogP of 6.76, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N,N,2-trimethyl-4,4,6,6-tetraphenyl-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-trien-2-amine is sourced from PubChem (CID 23419244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).