N,N-dimethyl-4,4,6,6-tetraphenyl-1,3,5-triaza-4λ5,6λ5-diphospha-2-phosphoniacyclohexa-1,3,5-trien-2-amine

C26H26N4P3+ — CID 23419241

About N,N-dimethyl-4,4,6,6-tetraphenyl-1,3,5-triaza-4λ5,6λ5-diphospha-2-phosphoniacyclohexa-1,3,5-trien-2-amine

N,N-dimethyl-4,4,6,6-tetraphenyl-1,3,5-triaza-4λ5,6λ5-diphospha-2-phosphoniacyclohexa-1,3,5-trien-2-amine (PubChem CID 23419241) has the molecular formula C26H26N4P3+ and a molecular weight of 487.44 g/mol. Its IUPAC name is N,N-dimethyl-4,4,6,6-tetraphenyl-1,3,5-triaza-4λ5,6λ5-diphospha-2-phosphoniacyclohexa-1,3,5-trien-2-amine.

Molecular Properties

• Compound Name: N,N-dimethyl-4,4,6,6-tetraphenyl-1,3,5-triaza-4λ5,6λ5-diphospha-2-phosphoniacyclohexa-1,3,5-trien-2-amine
• PubChem CID: 23419241
• Molecular Formula: C26H26N4P3+
• Molecular Weight: 487.44 g/mol
• Exact Mass: 487.14
• IUPAC Name: N,N-dimethyl-4,4,6,6-tetraphenyl-1,3,5-triaza-4λ5,6λ5-diphospha-2-phosphoniacyclohexa-1,3,5-trien-2-amine
• SMILES: CN(C)[P+]1=NP(c2ccccc2)(c2ccccc2)=NP(c2ccccc2)(c2ccccc2)=N1
• InChI: InChI=1S/C26H26N4P3/c1-30(2)31-27-32(23-15-7-3-8-16-23,24-17-9-4-10-18-24)29-33(28-31,25-19-11-5-12-20-25)26-21-13-6-14-22-26/h3-22H,1-2H3/q+1
• InChIKey: JZXDXWODFKWJHV-UHFFFAOYSA-N
• XLogP: 6.59
• TPSA: 40.32 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	487.44
LogP ≤ 5	6.59
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-dimethyl-4,4,6,6-tetraphenyl-1,3,5-triaza-4λ5,6λ5-diphospha-2-phosphoniacyclohexa-1,3,5-trien-2-amine?

The IUPAC name of N,N-dimethyl-4,4,6,6-tetraphenyl-1,3,5-triaza-4λ5,6λ5-diphospha-2-phosphoniacyclohexa-1,3,5-trien-2-amine (CID 23419241) is N,N-dimethyl-4,4,6,6-tetraphenyl-1,3,5-triaza-4λ5,6λ5-diphospha-2-phosphoniacyclohexa-1,3,5-trien-2-amine.

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

The canonical SMILES for N,N-dimethyl-4,4,6,6-tetraphenyl-1,3,5-triaza-4λ5,6λ5-diphospha-2-phosphoniacyclohexa-1,3,5-trien-2-amine is CN(C)[P+]1=NP(c2ccccc2)(c2ccccc2)=NP(c2ccccc2)(c2ccccc2)=N1.

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

The InChIKey is JZXDXWODFKWJHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4P3/c1-30(2)31-27-32(23-15-7-3-8-16-23,24-17-9-4-10-18-24)29-33(28-31,25-19-11-5-12-20-25)26-21-13-6-14-22-26/h3-22H,1-2H3/q+1.

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

N,N-dimethyl-4,4,6,6-tetraphenyl-1,3,5-triaza-4λ5,6λ5-diphospha-2-phosphoniacyclohexa-1,3,5-trien-2-amine has a molecular weight of 487.44 g/mol, XLogP of 6.59, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-dimethyl-4,4,6,6-tetraphenyl-1,3,5-triaza-4λ5,6λ5-diphospha-2-phosphoniacyclohexa-1,3,5-trien-2-amine is sourced from PubChem (CID 23419241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).