boranuide;4-[3-[4-(3-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazole

C51H36BN4O- — CID 159052403

About boranuide;4-[3-[4-(3-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazole

boranuide;4-[3-[4-(3-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazole (PubChem CID 159052403) has the molecular formula C51H36BN4O- and a molecular weight of 731.69 g/mol. Its IUPAC name is boranuide;4-[3-[4-(3-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazole.

Molecular Properties

• Compound Name: boranuide;4-[3-[4-(3-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazole
• PubChem CID: 159052403
• Molecular Formula: C51H36BN4O-
• Molecular Weight: 731.69 g/mol
• Exact Mass: 731.30
• IUPAC Name: boranuide;4-[3-[4-(3-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazole
• SMILES: [BH4-].c1ccc(-c2nc(-c3cccc(-c4cccc5c4oc4ccccc45)c3)nc(-c3cccc(-c4cccc5c4c4ccccc4n5-c4ccccc4)c3)n2)cc1
• InChI: InChI=1S/C51H32N4O.BH4/c1-3-15-33(16-4-1)49-52-50(54-51(53-49)37-20-12-18-35(32-37)40-26-13-27-42-41-23-8-10-30-46(41)56-48(40)42)36-19-11-17-34(31-36)39-25-14-29-45-47(39)43-24-7-9-28-44(43)55(45)38-21-5-2-6-22-38;/h1-32H;1H4/q;-1
• InChIKey: JXKUNXJSKSVOKL-UHFFFAOYSA-N
• XLogP: 11.75
• TPSA: 56.74 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	731.69
LogP ≤ 5	11.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of boranuide;4-[3-[4-(3-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazole?

The IUPAC name of boranuide;4-[3-[4-(3-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazole (CID 159052403) is boranuide;4-[3-[4-(3-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazole.

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

The canonical SMILES for boranuide;4-[3-[4-(3-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazole is [BH4-].c1ccc(-c2nc(-c3cccc(-c4cccc5c4oc4ccccc45)c3)nc(-c3cccc(-c4cccc5c4c4ccccc4n5-c4ccccc4)c3)n2)cc1.

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

The InChIKey is JXKUNXJSKSVOKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32N4O.BH4/c1-3-15-33(16-4-1)49-52-50(54-51(53-49)37-20-12-18-35(32-37)40-26-13-27-42-41-23-8-10-30-46(41)56-48(40)42)36-19-11-17-34(31-36)39-25-14-29-45-47(39)43-24-7-9-28-44(43)55(45)38-21-5-2-6-22-38;/h1-32H;1H4/q;-1.

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

boranuide;4-[3-[4-(3-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazole has a molecular weight of 731.69 g/mol, XLogP of 11.75, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for boranuide;4-[3-[4-(3-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazole is sourced from PubChem (CID 159052403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).