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  3. HIT214315250
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HIT214315250
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HIT214315250
  • HIT ID:HIT214315250
  • Cas No:1664293-06-4
  • 常用名:ITIC
  • IUPAC:2-{2-[(20-{[1-(dicyanomethylidene)-3-oxo-2,3-dihydro-1H-inden-2-ylidene]methyl}-12,12,24,24-tetrakis(4-hexylphenyl)-5,9,17,21-tetrathiaheptacyclo[13.9.0.0^{3,13}.0^{4,11}.0^{6,10}.0^{16,23}.0^{18,22}]tetracosa-1(15),2,4(11),6(10),7,13,16(23),18(22),19-nonaen-8-yl)methylidene]-3-oxo-2,3-dihydro-1H-inden-1-ylidene}propanedinitrile
    IUPAC:2-{2-[(20-{[1-(dicyanomethylidene)-3-oxo-2,3-dihydro-1H-inden-2-ylidene]methyl}-12,12,24,24-tetrakis(4-hexylphenyl)-5,9,17,21-tetrathiaheptacyclo[13.9.0.0^{3,13}.0^{4,11}.0^{6,10}.0^{16,23}.0^{18,22}]tetracosa-1(15),2,4(11),6(10),7,13,16(23),18(22),19-nonaen-8-yl)methylidene]-3-oxo-2,3-dihydro-1H-inden-1-ylidene}propanedinitrile
  • InChI key:HQOWCDPFDSRYRO-UHFFFAOYSA-N
  • 分子式:C94H82N4O2S4
  • 分子量:1427.96
  • 氢键供体数 (HBD):
  • 氢键受体数 (HBA):
  • LogP:
  • SMILES:CCCCCCC1=CC=C(C=C1)C1(C2=CC3=C(C=C2C2=C1C1=C(S2)C=C(S1)C=C1C(=O)C2=C(C=CC=C2)C1=C(C#N)C#N)C(C1=C3SC2=C1SC(C=C1C(=O)C3=C(C=CC=C3)C1=C(C#N)C#N)=C2)(C1=CC=C(CCCCCC)C=C1)C1=CC=C(CCCCCC)C=C1)C1=CC=C(CCCCCC)C=C1
    SMILES:CCCCCCC1=CC=C(C=C1)C1(C2=CC3=C(C=C2C2=C1C1=C(S2)C=C(S1)C=C1C(=O)C2=C(C=CC=C2)C1=C(C#N)C#N)C(C1=C3SC2=C1SC(C=C1C(=O)C3=C(C=CC=C3)C1=C(C#N)C#N)=C2)(C1=CC=C(CCCCCC)C=C1)C1=CC=C(CCCCCC)C=C1)C1=CC=C(CCCCCC)C=C1
  • ITIC, a non-fullerene acceptor, demonstrates exceptional thermal stability and exhibits a glass-crystal transition at a significantly lower temperature than its high glass transition temperature (Tg) of 180 °C. Furthermore, ITIC, which is an indacenodithienothiophene-based postfullerene electron acceptor, displays a distinct crystallization behavior, differing substantially from that of fullerenes.
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  • 供应商
    TargetMolSC
    规格
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    ¥ 10,600.00
    1

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