Chem
J-GLOBAL ID：202407003446924369   Nikkaji number：J3.807.306K

2-[(2Z)-5,6-dichloro-2-[(20-{[(2Z)-5,6-dichloro-1-(dicyanomethylidene)-3-oxoinden-2-ylidene]methyl}-5,23-bis(4-hexylphenyl)-14-(2,4,6-triisopropylphenyl)-2,9,12,16,19-pentathia-14-boraheptacyclo[13.9.0.03,13.04,11.06,10.017,24.018,22]tetracosa-1(15),3(13),4(11),6(10),7,17(24),18(22),20-octaen-8-yl)methylidene]-3-oxoinden-1-ylidene]propanedinitrile

2-[(2Z)-5,6-ジクロロ-2-[(20-{[(2Z)-5,6-ジクロロ-1-(ジシアノメチリデン)-3-オキソインデン-2-イリデン]メチル}-5,23-ビス(4-ヘキシルフェニル)-14-(2,4,6-トリイソプロピルフェニル)-2,9,12,16,19-ペンタチア-14-ボラヘプタシクロ[13.9.0.03,13.04,11.06,10.017,24.018,22]テトラコサ-1(15),3(13),4(11),6(10),7,17(24),18(22),20-オクタエン-8-イル)メチリデン]-3-オキソインデン-1-イリデン]プロパンジニトリル
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C83H67BCl4N4O2S5
Molecular formula furigana： C83-H67-B-CL4-N4-O2-S5
Molecular weight： 1465.390
InChI： InChI=1S/C83H67BCl4N4O2S5/c1-9-11-13-15-17-44-19-23-46(24-20-44)69-61-31-51(29-59-67(49(37-89)38-90)55-33-63(85)65(87)35-57(55)74(59)93)95-76(61)78-71(69)80-82(98-78)84(73-53(42(5)6)27-48(41(3)4)28-54(73)43(7)8)83-81(97-80)72-70(47-25-21-45(22-26-47)18-16-14-12-10-2)62-32-52(96-77(62)79(72)99-83)30-60-68(50(39-91)40-92)56-34-64(86)66(88)36-58(56)75(60)94/h19-36,41-43,69-70H,9-18H2,1-8H3/b59-29-,60-30-
InChI key： ASDWOVAYWACHOZ-GBDYQYMBSA-N
SMILES： C1(=C(C#N)C#N)/C(=C/c2sc3c4c(c5c(B(c6c(S5)c5c(s6)c6c(cc(s6)/C=C\6/C(=C(C#N)C#N)c7c(C6=O)cc(c(c7)Cl)Cl)C5c5ccc(cc5)CCCCCC)c5c(cc(cc5C(C)C)C(C)C)C(C)C)s4)C(c3c2)c2ccc(cc2)CCCCCC)/C(=O)c2c1cc(c(c2)Cl)Cl
Systematic name  (2)：
  • 2-[(2Z)-5,6-ジクロロ-2-[(20-{[(2Z)-5,6-ジクロロ-1-(ジシアノメチリデン)-3-オキソ-2,3-ジヒドロ-1H-インデン-2-イリデン]メチル}-5,23-ビス(4-ヘキシルフェニル)-14-[2,4,6-トリス(プロパン-2-イル)フェニル]-2,9,12,16,19-ペンタチア-14-ボラヘプタシクロ[13.9.0.03,13.04,11.06,10.017,24.018,22]テトラコサ-1(15),3(13),4(11),6(10),7,17(24),18(22),20-オクタエン-8-イル)メチリデン]-3-オキソ-2,3-ジヒドロ-1H-インデン-1-イリデン]プロパンジニトリル
  • 2-[(2Z)-5,6-dichloro-2-[(20-{[(2Z)-5,6-dichloro-1-(dicyanomethylidene)-3-oxo-2,3-dihydro-1H-inden-2-ylidene]methyl}-5,23-bis(4-hexylphenyl)-14-[2,4,6-tris(propan-2-yl)phenyl]-2,9,12,16,19-pentathia-14-boraheptacyclo[13.9.0.03,13.04,11.06,10.017,24.018,22]tetracosa-1(15),3(13),4(11),6(10),7,17(24),18(22),20-octaen-8-yl)methylidene]-3-oxo-2,3-dihydro-1H-inden-1-ylidene]propanedinitrile
Other name (2)：
  • 2-[(2Z)-5,6-ジクロロ-2-[(20-{[(2Z)-5,6-ジクロロ-1-(ジシアノメチリデン)-3-オキソインデン-2-イリデン]メチル}-5,23-ビス(4-ヘキシルフェニル)-14-(2,4,6-トリイソプロピルフェニル)-2,9,12,16,19-ペンタチア-14-ボラヘプタシクロ[13.9.0.03,13.04,11.06,10.017,24.018,22]テトラコサ-1(15),3(13),4(11),6(10),7,17(24),18(22),20-オクタエン-8-イル)メチリデン]-3-オキソインデン-1-イリデン]プロパンジニトリル
  • 2-[(2Z)-5,6-dichloro-2-[(20-{[(2Z)-5,6-dichloro-1-(dicyanomethylidene)-3-oxoinden-2-ylidene]methyl}-5,23-bis(4-hexylphenyl)-14-(2,4,6-triisopropylphenyl)-2,9,12,16,19-pentathia-14-boraheptacyclo[13.9.0.03,13.04,11.06,10.017,24.018,22]tetracosa-1(15),3(13),4(11),6(10),7,17(24),18(22),20-octaen-8-yl)methylidene]-3-oxoinden-1-ylidene]propanedinitrile
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