boranuide;9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole

C33H26BN4- — CID 158893462

About boranuide;9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole

boranuide;9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole (PubChem CID 158893462) has the molecular formula C33H26BN4- and a molecular weight of 489.41 g/mol. Its IUPAC name is boranuide;9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole.

Molecular Properties

• Compound Name: boranuide;9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
• PubChem CID: 158893462
• Molecular Formula: C33H26BN4-
• Molecular Weight: 489.41 g/mol
• Exact Mass: 489.23
• IUPAC Name: boranuide;9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
• SMILES: [BH4-].c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3-n3c4ccccc4c4ccccc43)n2)cc1
• InChI: InChI=1S/C33H22N4.BH4/c1-3-13-23(14-4-1)31-34-32(24-15-5-2-6-16-24)36-33(35-31)27-19-9-12-22-30(27)37-28-20-10-7-17-25(28)26-18-8-11-21-29(26)37;/h1-22H;1H4/q;-1
• InChIKey: JENMMWBREIRDAB-UHFFFAOYSA-N
• XLogP: 6.52
• TPSA: 43.60 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	489.41
LogP ≤ 5	6.52
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 boranuide;9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole?

The IUPAC name of boranuide;9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole (CID 158893462) is boranuide;9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole.

What is the SMILES notation for boranuide;9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole?

The canonical SMILES for boranuide;9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole is [BH4-].c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3-n3c4ccccc4c4ccccc43)n2)cc1.

What is the InChIKey of boranuide;9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole?

The InChIKey is JENMMWBREIRDAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H22N4.BH4/c1-3-13-23(14-4-1)31-34-32(24-15-5-2-6-16-24)36-33(35-31)27-19-9-12-22-30(27)37-28-20-10-7-17-25(28)26-18-8-11-21-29(26)37;/h1-22H;1H4/q;-1.

What are the key properties of boranuide;9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole?

boranuide;9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole has a molecular weight of 489.41 g/mol, XLogP of 6.52, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for boranuide;9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole is sourced from PubChem (CID 158893462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).