1-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,10,10-triphenyl-[1]benzosilolo[3,2-b]indole

C47H32N4Si — CID 90296203

About 1-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,10,10-triphenyl-[1]benzosilolo[3,2-b]indole

1-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,10,10-triphenyl-[1]benzosilolo[3,2-b]indole (PubChem CID 90296203) has the molecular formula C47H32N4Si and a molecular weight of 680.89 g/mol. Its IUPAC name is 1-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,10,10-triphenyl-[1]benzosilolo[3,2-b]indole.

Molecular Properties

• Compound Name: 1-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,10,10-triphenyl-[1]benzosilolo[3,2-b]indole
• PubChem CID: 90296203
• Molecular Formula: C47H32N4Si
• Molecular Weight: 680.89 g/mol
• Exact Mass: 680.24
• IUPAC Name: 1-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,10,10-triphenyl-[1]benzosilolo[3,2-b]indole
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3[Si](c3ccccc3)(c3ccccc3)c3c-4n(-c4ccccc4)c4ccccc34)n2)cc1
• InChI: InChI=1S/C47H32N4Si/c1-6-19-33(20-7-1)45-48-46(34-21-8-2-9-22-34)50-47(49-45)40-31-18-30-39-42-44(38-29-16-17-32-41(38)51(42)35-23-10-3-11-24-35)52(43(39)40,36-25-12-4-13-26-36)37-27-14-5-15-28-37/h1-32H
• InChIKey: MKPFROWVVFVPOQ-UHFFFAOYSA-N
• XLogP: 8.17
• TPSA: 43.60 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	680.89
LogP ≤ 5	8.17
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 1-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,10,10-triphenyl-[1]benzosilolo[3,2-b]indole?

The IUPAC name of 1-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,10,10-triphenyl-[1]benzosilolo[3,2-b]indole (CID 90296203) is 1-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,10,10-triphenyl-[1]benzosilolo[3,2-b]indole.

What is the SMILES notation for 1-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,10,10-triphenyl-[1]benzosilolo[3,2-b]indole?

The canonical SMILES for 1-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,10,10-triphenyl-[1]benzosilolo[3,2-b]indole is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3[Si](c3ccccc3)(c3ccccc3)c3c-4n(-c4ccccc4)c4ccccc34)n2)cc1.

What is the InChIKey of 1-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,10,10-triphenyl-[1]benzosilolo[3,2-b]indole?

The InChIKey is MKPFROWVVFVPOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H32N4Si/c1-6-19-33(20-7-1)45-48-46(34-21-8-2-9-22-34)50-47(49-45)40-31-18-30-39-42-44(38-29-16-17-32-41(38)51(42)35-23-10-3-11-24-35)52(43(39)40,36-25-12-4-13-26-36)37-27-14-5-15-28-37/h1-32H.

What are the key properties of 1-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,10,10-triphenyl-[1]benzosilolo[3,2-b]indole?

1-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,10,10-triphenyl-[1]benzosilolo[3,2-b]indole has a molecular weight of 680.89 g/mol, XLogP of 8.17, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,10,10-triphenyl-[1]benzosilolo[3,2-b]indole is sourced from PubChem (CID 90296203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).