2,2,4,4-tetraphenyl-1,3-bis[6-(3-phenylphenyl)-2-pyridinyl]-1,3,2,4-diazadisiletidine

C58H44N4Si2 — CID 90294942

About 2,2,4,4-tetraphenyl-1,3-bis[6-(3-phenylphenyl)-2-pyridinyl]-1,3,2,4-diazadisiletidine

2,2,4,4-tetraphenyl-1,3-bis[6-(3-phenylphenyl)-2-pyridinyl]-1,3,2,4-diazadisiletidine (PubChem CID 90294942) has the molecular formula C58H44N4Si2 and a molecular weight of 853.19 g/mol. Its IUPAC name is 2,2,4,4-tetraphenyl-1,3-bis[6-(3-phenylphenyl)-2-pyridinyl]-1,3,2,4-diazadisiletidine.

Molecular Properties

• Compound Name: 2,2,4,4-tetraphenyl-1,3-bis[6-(3-phenylphenyl)-2-pyridinyl]-1,3,2,4-diazadisiletidine
• PubChem CID: 90294942
• Molecular Formula: C58H44N4Si2
• Molecular Weight: 853.19 g/mol
• Exact Mass: 852.31
• IUPAC Name: 2,2,4,4-tetraphenyl-1,3-bis[6-(3-phenylphenyl)-2-pyridinyl]-1,3,2,4-diazadisiletidine
• SMILES: c1ccc(-c2cccc(-c3cccc(N4[Si](c5ccccc5)(c5ccccc5)N(c5cccc(-c6cccc(-c7ccccc7)c6)n5)[Si]4(c4ccccc4)c4ccccc4)n3)c2)cc1
• InChI: InChI=1S/C58H44N4Si2/c1-7-23-45(24-8-1)47-27-19-29-49(43-47)55-39-21-41-57(59-55)61-63(51-31-11-3-12-32-51,52-33-13-4-14-34-52)62(64(61,53-35-15-5-16-36-53)54-37-17-6-18-38-54)58-42-22-40-56(60-58)50-30-20-28-48(44-50)46-25-9-2-10-26-46/h1-44H
• InChIKey: KDGHGSQEXHRVPY-UHFFFAOYSA-N
• XLogP: 10.98
• TPSA: 32.26 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	853.19
LogP ≤ 5	10.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,2,4,4-tetraphenyl-1,3-bis[6-(3-phenylphenyl)-2-pyridinyl]-1,3,2,4-diazadisiletidine?

The IUPAC name of 2,2,4,4-tetraphenyl-1,3-bis[6-(3-phenylphenyl)-2-pyridinyl]-1,3,2,4-diazadisiletidine (CID 90294942) is 2,2,4,4-tetraphenyl-1,3-bis[6-(3-phenylphenyl)-2-pyridinyl]-1,3,2,4-diazadisiletidine.

What is the SMILES notation for 2,2,4,4-tetraphenyl-1,3-bis[6-(3-phenylphenyl)-2-pyridinyl]-1,3,2,4-diazadisiletidine?

The canonical SMILES for 2,2,4,4-tetraphenyl-1,3-bis[6-(3-phenylphenyl)-2-pyridinyl]-1,3,2,4-diazadisiletidine is c1ccc(-c2cccc(-c3cccc(N4[Si](c5ccccc5)(c5ccccc5)N(c5cccc(-c6cccc(-c7ccccc7)c6)n5)[Si]4(c4ccccc4)c4ccccc4)n3)c2)cc1.

What is the InChIKey of 2,2,4,4-tetraphenyl-1,3-bis[6-(3-phenylphenyl)-2-pyridinyl]-1,3,2,4-diazadisiletidine?

The InChIKey is KDGHGSQEXHRVPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H44N4Si2/c1-7-23-45(24-8-1)47-27-19-29-49(43-47)55-39-21-41-57(59-55)61-63(51-31-11-3-12-32-51,52-33-13-4-14-34-52)62(64(61,53-35-15-5-16-36-53)54-37-17-6-18-38-54)58-42-22-40-56(60-58)50-30-20-28-48(44-50)46-25-9-2-10-26-46/h1-44H.

What are the key properties of 2,2,4,4-tetraphenyl-1,3-bis[6-(3-phenylphenyl)-2-pyridinyl]-1,3,2,4-diazadisiletidine?

2,2,4,4-tetraphenyl-1,3-bis[6-(3-phenylphenyl)-2-pyridinyl]-1,3,2,4-diazadisiletidine has a molecular weight of 853.19 g/mol, XLogP of 10.98, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2,4,4-tetraphenyl-1,3-bis[6-(3-phenylphenyl)-2-pyridinyl]-1,3,2,4-diazadisiletidine is sourced from PubChem (CID 90294942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).