1,3-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-2,2,4,4-tetraphenyl-1,3,2,4-diazadisiletidine

C54H40N8Si2 — CID 90294941

About 1,3-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-2,2,4,4-tetraphenyl-1,3,2,4-diazadisiletidine

1,3-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-2,2,4,4-tetraphenyl-1,3,2,4-diazadisiletidine (PubChem CID 90294941) has the molecular formula C54H40N8Si2 and a molecular weight of 857.14 g/mol. Its IUPAC name is 1,3-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-2,2,4,4-tetraphenyl-1,3,2,4-diazadisiletidine.

Molecular Properties

• Compound Name: 1,3-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-2,2,4,4-tetraphenyl-1,3,2,4-diazadisiletidine
• PubChem CID: 90294941
• Molecular Formula: C54H40N8Si2
• Molecular Weight: 857.14 g/mol
• Exact Mass: 856.29
• IUPAC Name: 1,3-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-2,2,4,4-tetraphenyl-1,3,2,4-diazadisiletidine
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(N3[Si](c4ccccc4)(c4ccccc4)N(c4nc(-c5ccccc5)nc(-c5ccccc5)n4)[Si]3(c3ccccc3)c3ccccc3)n2)cc1
• InChI: InChI=1S/C54H40N8Si2/c1-9-25-41(26-10-1)49-55-50(42-27-11-2-12-28-42)58-53(57-49)61-63(45-33-17-5-18-34-45,46-35-19-6-20-36-46)62(64(61,47-37-21-7-22-38-47)48-39-23-8-24-40-48)54-59-51(43-29-13-3-14-30-43)56-52(60-54)44-31-15-4-16-32-44/h1-40H
• InChIKey: YQEVRDZAMINOKV-UHFFFAOYSA-N
• XLogP: 8.56
• TPSA: 83.82 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	857.14
LogP ≤ 5	8.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-2,2,4,4-tetraphenyl-1,3,2,4-diazadisiletidine?

The IUPAC name of 1,3-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-2,2,4,4-tetraphenyl-1,3,2,4-diazadisiletidine (CID 90294941) is 1,3-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-2,2,4,4-tetraphenyl-1,3,2,4-diazadisiletidine.

What is the SMILES notation for 1,3-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-2,2,4,4-tetraphenyl-1,3,2,4-diazadisiletidine?

The canonical SMILES for 1,3-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-2,2,4,4-tetraphenyl-1,3,2,4-diazadisiletidine is c1ccc(-c2nc(-c3ccccc3)nc(N3[Si](c4ccccc4)(c4ccccc4)N(c4nc(-c5ccccc5)nc(-c5ccccc5)n4)[Si]3(c3ccccc3)c3ccccc3)n2)cc1.

What is the InChIKey of 1,3-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-2,2,4,4-tetraphenyl-1,3,2,4-diazadisiletidine?

The InChIKey is YQEVRDZAMINOKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H40N8Si2/c1-9-25-41(26-10-1)49-55-50(42-27-11-2-12-28-42)58-53(57-49)61-63(45-33-17-5-18-34-45,46-35-19-6-20-36-46)62(64(61,47-37-21-7-22-38-47)48-39-23-8-24-40-48)54-59-51(43-29-13-3-14-30-43)56-52(60-54)44-31-15-4-16-32-44/h1-40H.

What are the key properties of 1,3-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-2,2,4,4-tetraphenyl-1,3,2,4-diazadisiletidine?

1,3-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-2,2,4,4-tetraphenyl-1,3,2,4-diazadisiletidine has a molecular weight of 857.14 g/mol, XLogP of 8.56, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-2,2,4,4-tetraphenyl-1,3,2,4-diazadisiletidine is sourced from PubChem (CID 90294941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).