1,1,1,5,5,5-Hexaphenyl-3-[(triphenyl-lambda~5~-phosphanylidene)amino]-2,4-diaza-1lambda~5~,5lambda~5~-diphospha-3-silapenta-1,4-diene

C54H45N3P3Si — CID 78061620

About 1,1,1,5,5,5-Hexaphenyl-3-[(triphenyl-lambda~5~-phosphanylidene)amino]-2,4-diaza-1lambda~5~,5lambda~5~-diphospha-3-silapenta-1,4-diene

1,1,1,5,5,5-Hexaphenyl-3-[(triphenyl-lambda~5~-phosphanylidene)amino]-2,4-diaza-1lambda~5~,5lambda~5~-diphospha-3-silapenta-1,4-diene (PubChem CID 78061620) has the molecular formula C54H45N3P3Si and a molecular weight of 856.98 g/mol.

Molecular Properties

• Compound Name: 1,1,1,5,5,5-Hexaphenyl-3-[(triphenyl-lambda~5~-phosphanylidene)amino]-2,4-diaza-1lambda~5~,5lambda~5~-diphospha-3-silapenta-1,4-diene
• PubChem CID: 78061620
• Molecular Formula: C54H45N3P3Si
• Molecular Weight: 856.98 g/mol
• Exact Mass: 856.26
• IUPAC Name: —
• SMILES: c1ccc(P(=N[Si](N=P(c2ccccc2)(c2ccccc2)c2ccccc2)N=P(c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/C54H45N3P3Si/c1-10-28-46(29-11-1)58(47-30-12-2-13-31-47,48-32-14-3-15-33-48)55-61(56-59(49-34-16-4-17-35-49,50-36-18-5-19-37-50)51-38-20-6-21-39-51)57-60(52-40-22-7-23-41-52,53-42-24-8-25-43-53)54-44-26-9-27-45-54/h1-45H
• InChIKey: WNJVTBKEQLAYOH-UHFFFAOYSA-N
• XLogP: 10.50
• TPSA: 37.08 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 12
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	856.98
LogP ≤ 5	10.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1,1,1,5,5,5-Hexaphenyl-3-[(triphenyl-lambda~5~-phosphanylidene)amino]-2,4-diaza-1lambda~5~,5lambda~5~-diphospha-3-silapenta-1,4-diene?

The IUPAC name of 1,1,1,5,5,5-Hexaphenyl-3-[(triphenyl-lambda~5~-phosphanylidene)amino]-2,4-diaza-1lambda~5~,5lambda~5~-diphospha-3-silapenta-1,4-diene (CID 78061620) is not available.

What is the SMILES notation for 1,1,1,5,5,5-Hexaphenyl-3-[(triphenyl-lambda~5~-phosphanylidene)amino]-2,4-diaza-1lambda~5~,5lambda~5~-diphospha-3-silapenta-1,4-diene?

The canonical SMILES for 1,1,1,5,5,5-Hexaphenyl-3-[(triphenyl-lambda~5~-phosphanylidene)amino]-2,4-diaza-1lambda~5~,5lambda~5~-diphospha-3-silapenta-1,4-diene is c1ccc(P(=N[Si](N=P(c2ccccc2)(c2ccccc2)c2ccccc2)N=P(c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1.

What is the InChIKey of 1,1,1,5,5,5-Hexaphenyl-3-[(triphenyl-lambda~5~-phosphanylidene)amino]-2,4-diaza-1lambda~5~,5lambda~5~-diphospha-3-silapenta-1,4-diene?

The InChIKey is WNJVTBKEQLAYOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H45N3P3Si/c1-10-28-46(29-11-1)58(47-30-12-2-13-31-47,48-32-14-3-15-33-48)55-61(56-59(49-34-16-4-17-35-49,50-36-18-5-19-37-50)51-38-20-6-21-39-51)57-60(52-40-22-7-23-41-52,53-42-24-8-25-43-53)54-44-26-9-27-45-54/h1-45H.

What are the key properties of 1,1,1,5,5,5-Hexaphenyl-3-[(triphenyl-lambda~5~-phosphanylidene)amino]-2,4-diaza-1lambda~5~,5lambda~5~-diphospha-3-silapenta-1,4-diene?

1,1,1,5,5,5-Hexaphenyl-3-[(triphenyl-lambda~5~-phosphanylidene)amino]-2,4-diaza-1lambda~5~,5lambda~5~-diphospha-3-silapenta-1,4-diene has a molecular weight of 856.98 g/mol, XLogP of 10.50, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1,1,1,5,5,5-Hexaphenyl-3-[(triphenyl-lambda~5~-phosphanylidene)amino]-2,4-diaza-1lambda~5~,5lambda~5~-diphospha-3-silapenta-1,4-diene is sourced from PubChem (CID 78061620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).