Description

5,9-Di([1,1′-biphenyl]-4-yl)-3,11-di(9H-carbazol-9-yl)-5,9-dihydro-5,9-diaza-13b-boranaphtho[3,2,1-de]anthracene (CAS No. 2496575-77-8) is a highly specialized organic boron-nitrogen heterocyclic compound with the molecular formula C₆₆H₄₃BN₄. This advanced chemical features a complex pentacyclic structure incorporating biphenyl, carbazole, and boron moieties, making it an intriguing candidate for optoelectronic and materials science research. The compound’s extended π-conjugated system and electron-rich nitrogen/boron centers suggest potential utility in organic semiconductor applications. With a molecular weight of 902.89 g/mol, this material is supplied as a high-purity solid suitable for research-scale investigations. Researchers may explore its photophysical properties, charge transport characteristics, or potential as a host material in OLED devices. Proper handling under inert atmosphere is recommended due to potential air/moisture sensitivity of the boron-containing framework.

Properties

• CAS Number: 2496575-77-8
• Complexity: 1610
• IUPAC Name: 5,17-di(carbazol-9-yl)-8,14-bis(4-phenylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene
• InChI: InChI=1S/C66H43BN4/c1-3-16-44(17-4-1)46-30-34-48(35-31-46)68-62-28-15-29-63-66(62)67(56-40-38-50(42-64(56)68)70-58-24-11-7-20-52(58)53-21-8-12-25-59(53)70)57-41-39-51(71-60-26-13-9-22-54(60)55-23-10-14-27-61(55)71)43-65(57)69(63)49-36-32-47(33-37-49)45-18-5-2-6-19-45/h1-43H
• InChI Key: XNNSWEYPGJOWOJ-UHFFFAOYSA-N
• Exact Mass: 902.3580776
• Molecular Formula: C66H43BN4
• Molecular Weight: 902.9
• SMILES: B12C3=C(C=C(C=C3)N4C5=CC=CC=C5C6=CC=CC=C64)N(C7=C1C(=CC=C7)N(C8=C2C=CC(=C8)N9C1=CC=CC=C1C1=CC=CC=C19)C1=CC=C(C=C1)C1=CC=CC=C1)C1=CC=C(C=C1)C1=CC=CC=C1
• Topological: 16.3
• Monoisotopic Mass: 902.3580776
• Synonyms: SCHEMBL25478527, 2496575-77-8, 5,9-Di([1,1′-biphenyl]-4-yl)-3,11-di(9H-carbazol-9-yl)-5,9-dihydro-5,9-diaza-13b-boranaphtho[3,2,1-de]anthracene

Application

This boron-nitrogen fused polycyclic compound shows promise as a functional material in organic electronics, particularly as an emissive layer component in OLED devices. The rigid, conjugated structure may facilitate efficient charge transport in thin film organic semiconductor applications. Researchers are investigating its potential as a host material for phosphorescent emitters due to the combination of electron-donating carbazole units and electron-accepting boron centers. The compound’s unique architecture also makes it interesting for studying intramolecular charge transfer phenomena in complex heteroatomic systems.

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