Description

2,7-Bis(2-ethylhexyl)benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetrone (CAS No. 861402-48-4) is a high-purity organic compound with the molecular formula C₃₀H₃₈N₂O₄. This advanced chemical features a rigid polycyclic aromatic core functionalized with two 2-ethylhexyl side chains, offering unique solubility and electronic properties. The compound’s extended π-conjugated system makes it particularly valuable for optoelectronic applications. With an IUPAC name of 6,13-bis(2-ethylhexyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone, it is supplied as a research-grade material with typical purity ≥95% (HPLC). Proper storage under inert atmosphere at -20°C is recommended for long-term stability.

Properties

• CAS Number: 861402-48-4
• Complexity: 725
• IUPAC Name: 6,13-bis(2-ethylhexyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone
• InChI: InChI=1S/C30H38N2O4/c1-5-9-11-19(7-3)17-31-27(33)21-13-15-23-26-24(16-14-22(25(21)26)28(31)34)30(36)32(29(23)35)18-20(8-4)12-10-6-2/h13-16,19-20H,5-12,17-18H2,1-4H3
• InChI Key: ZSFDFRVYEMDMNN-UHFFFAOYSA-N
• Exact Mass: 490.28315770
• Molecular Formula: C30H38N2O4
• Molecular Weight: 490.6
• SMILES: CCCCC(CC)CN1C(=O)C2=C3C(=CC=C4C3=C(C=C2)C(=O)N(C4=O)CC(CC)CCCC)C1=O
• Topological: 74.8
• Monoisotopic Mass: 490.28315770
• Synonyms: 861402-48-4, 2,7-Bis(2-ethylhexyl)benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetrone, Benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetrone, 2,7-bis(2-ethylhexyl)-, 2,7-Bis(2-ethylhexyl)benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetraone, 6,13-bis(2-ethylhexyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone, SCHEMBL12502653, F76414, Benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetrone,2,7-bis(2-ethylhexyl)-

Application

This compound serves as a key building block for organic semiconductors in OLED and OPV applications. Its electron-deficient core structure makes it suitable for n-type organic electronic materials. Researchers utilize it in the development of high-performance organic thin-film transistors (OTFTs). The 2-ethylhexyl side chains provide excellent solution processability for inkjet printing applications.

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