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Atomfair 2-[(2E)-2-[[20-[(E)-[1-(dicyanomethylidene)-3-oxoinden-2-ylidene]methyl]-3,3,16,16-tetrakis(4-hexylphenyl)-6,10,13,19,23,26-hexathiaoctacyclo[12.12.0.02,12.04,11.05,9.015,25.017,24.018,22]hexacosa-1(14),2(12),4(11),5(9),7,15(25),17(24),18(22),20-nonaen-7-yl]methylidene]-3-oxoinden-1-ylidene]propanedinitrile C94H80N4O2S6 CAS 2244414-53-5

2-[(2E)-2-[[20-[(E)-[1-(dicyanomethylidene)-3-oxoinden-2-ylidene]methyl]-3,3,16,16-tetrakis(4-hexylphenyl)-6,10,13,19,23,26-hexathiaoctacyclo[12.12.0.02,12.04,11.05,9.015,25.017,24.018,22]hexacosa-1(14),2(12),4(11),5(9),7,15(25),17(24),18(22),20-nonaen-7-yl]methylidene]-3-oxoinden-1-ylidene]propanedinitrile is a highly specialized organic compound with the molecular formula C94H80N4O2S6. This complex molecule features a multi-ring fused structure with extensive conjugation, making it of significant interest in materials science and optoelectronic research. The presence of dicyanomethylidene and indenylidene groups suggests potential applications in organic semiconductors, non-linear optics, and dye-sensitized systems. With a CAS number of 2244414-53-5 , this compound is supplied as a high-purity material suitable for advanced research applications. Careful handling under inert conditions is recommended due to its sensitive functional groups.

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Description

2-[(2E)-2-[[20-[(E)-[1-(dicyanomethylidene)-3-oxoinden-2-ylidene]methyl]-3,3,16,16-tetrakis(4-hexylphenyl)-6,10,13,19,23,26-hexathiaoctacyclo[12.12.0.02,12.04,11.05,9.015,25.017,24.018,22]hexacosa-1(14),2(12),4(11),5(9),7,15(25),17(24),18(22),20-nonaen-7-yl]methylidene]-3-oxoinden-1-ylidene]propanedinitrile is a highly specialized organic compound with the molecular formula C94H80N4O2S6. This complex molecule features a multi-ring fused structure with extensive conjugation, making it of significant interest in materials science and optoelectronic research. The presence of dicyanomethylidene and indenylidene groups suggests potential applications in organic semiconductors, non-linear optics, and dye-sensitized systems. With a CAS number of 2244414-53-5, this compound is supplied as a high-purity material suitable for advanced research applications. Careful handling under inert conditions is recommended due to its sensitive functional groups.

Properties

  • CAS Number: 2244414-53-5
  • Complexity: 3160
  • IUPAC Name: 2-[(2E)-2-[[20-[(E)-[1-(dicyanomethylene)-3-oxo-indan-2-ylidene]methyl]-3,3,16,16-tetrakis(4-hexylphenyl)-6,10,13,19,23,26-hexathiaoctacyclo[12.12.0.02,12.04,11.05,9.015,25.017,24.018,22]hexacosa-1(14),2(12),4(11),5(9),7,15(25),17(24),18(22),20-nonaen-7-yl]methylene]-3-oxo-indan-1-ylidene]propanedinitrile
  • InChI: InChI=1S/C94H80N4O2S6/c1-5-9-13-17-25-57-33-41-63(42-34-57)93(64-43-35-58(36-44-64)26-18-14-10-6-2)79-85-75(51-67(101-85)49-73-77(61(53-95)54-96)69-29-21-23-31-71(69)83(73)99)103-87(79)89-81(93)91-92(105-89)82-90(106-91)88-80(86-76(104-88)52-68(102-86)50-74-78(62(55-97)56-98)70-30-22-24-32-72(70)84(74)100)94(82,65-45-37-59(38-46-65)27-19-15-11-7-3)66-47-39-60(40-48-66)28-20-16-12-8-4/h21-24,29-52H,5-20,25-28H2,1-4H3/b73-49+,74-50+
  • InChI Key: WFLCAWYQVZEHEO-KQSQOKRMSA-N
  • Exact Mass: 1489.46390968
  • Molecular Formula: C94H80N4O2S6
  • Molecular Weight: 1490.1
  • SMILES: CCCCCCC1=CC=C(C=C1)C2(C3=C(SC4=C3SC5=C4C(C6=C5SC7=C6SC(=C7)/C=C8/C(=O)C9=CC=CC=C9C8=C(C#N)C#N)(C1=CC=C(C=C1)CCCCCC)C1=CC=C(C=C1)CCCCCC)C1=C2C2=C(S1)C=C(S2)/C=C1/C(=O)C2=CC=CC=C2C1=C(C#N)C#N)C1=CC=C(C=C1)CCCCCC
  • Topological: 299
  • Monoisotopic Mass: 1488.46055485
  • Synonyms: 2244414-53-5, 2,2′-[[6,6,12,12-Tetrakis(4-hexylphenyl)-6,12-dihydrothieno[2”,3”:4′,5′]thieno[3′,2′:4,5]cyclopenta[1,2-b]thieno[2”’,3”’:4”,5”]thieno[2”,3”:3′,4′]cyclopenta[1′,2′:4,5]thieno[2,3-d]thiophene-2,8-diyl]bis[methylidyne(3-oxo-1H-indene-2,1(3H)-diylidene)]]bis[propanedinitrile], Propanedinitrile,2,2′-[[6,6,12,12-tetrakis(4-hexylphenyl)-6,12-dihydrothieno[2”,3”:4′,5′]thieno[3′,2′:4,5]cyclopenta[1,2-b]thieno[2”’,3”’:4”,5”]thieno[2”,3”:3′,4′]cyclopenta[1′,2′:4,5]thieno[2,3-d]thiophene-2,8-diyl]bis[methylidyne(3-oxo-1H-inden

Application

This compound is primarily investigated for use in organic electronic devices due to its extended conjugated system and electron-accepting dicyanomethylidene groups. Researchers are exploring its potential as an active layer component in organic photovoltaics and field-effect transistors. The molecule’s complex structure may also lend itself to applications in non-linear optical materials. Its absorption and emission properties make it a candidate for study in light-harvesting systems.

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Disclaimer

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