Chem
J-GLOBAL ID：201507031179926407   Nikkaji number：J3.355.677B

2-Cyano-3-[7-[5-(4,4,8,8,12,12-hexamethyl-6,10-dinonyl-12H-12c-aza-4H,8H-dibenzo[cd,mn]pyrene-2-yl)-7-oxa-3,4-dithia-3H-cyclopenta[a]pentalene-2-yl]-2,3-dihydrothieno[3,4-b]-1,4-dioxin-5-yl]propenoic acid

2-シアノ-3-[7-[5-(4,4,8,8,12,12-ヘキサメチル-6,10-ジノニル-12H-12c-アザ-4H,8H-ジベンゾ[cd,mn]ピレン-2-イル)-7-オキサ-3,4-ジチア-3H-シクロペンタ[a]ペンタレン-2-イル]-2,3-ジヒドロチエノ[3,4-b]-1,4-ジオキシン-5-イル]プロペン酸
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： C63H70N2O5S3
Molecular formula furigana： C63-H70-N2-O5-S3
Molecular weight： 1031.440
InChI： InChI=1S/C63H70N2O5S3/c1-9-11-13-15-17-19-21-23-37-27-41-52-43(29-37)62(5,6)45-31-39(32-46-54(45)65(52)53-42(61(41,3)4)28-38(30-44(53)63(46,7)8)24-22-20-18-16-14-12-10-2)49-34-47-57(71-49)58-48(70-47)35-51(73-58)59-56-55(68-25-26-69-56)50(72-59)33-40(36-64)60(66)67/h27-35H,9-26H2,1-8H3,(H,66,67)
InChI key： CYMLLMZWTMGTGV-UHFFFAOYSA-N
SMILES： CCCCCCCCCc1cc2c3N4c5c(cc(CCCCCCCCC)cc5C(C)(C)c5cc(cc(c45)C(C)(C)c3c1)c1cc3oc4cc(sc4c3s1)c1sc(C=C(C#N)C(=O)O)c3OCCOc13)C2(C)C
Systematic name  (3)：
  • 2-シアノ-3-[7-[5-(4,4,8,8,12,12-ヘキサメチル-6,10-ジノニル-12H-12c-アザ-4H,8H-ジベンゾ[cd,mn]ピレン-2-イル)-7-オキサ-3,4-ジチア-3H-シクロペンタ[a]ペンタレン-2-イル]-2,3-ジヒドロチエノ[3,4-b]-1,4-ジオキシン-5-イル]プロペン酸
  • 2-シアノ-3-[7-(10-{8,8,14,14,22,22-ヘキサメチル-11,17-ジノニル-1-アザヘキサシクロ[11.7.1.13,19.02,7.09,21.015,20]ドコサ-2,4,6,9,11,13(21),15(20),16,18-ノナエン-5-イル}-7-オキサ-3,11-ジチアトリシクロ[6.3.0.02,6]ウンデカ-1(8),2(6),4,9-テトラエン-4-イル)-2H,3H-チエノ[3,4-b][1,4]ジオキシン-5-イル]プロパ-2-エン酸
  • 2-cyano-3-[7-(10-{8,8,14,14,22,22-hexamethyl-11,17-dinonyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl}-7-oxa-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)-2H,3H-thieno[3,4-b][1,4]dioxin-5-yl]prop-2-enoic acid
Other name (1)：
  • 2-Cyano-3-[7-[5-(4,4,8,8,12,12-hexamethyl-6,10-dinonyl-12H-12c-aza-4H,8H-dibenzo[cd,mn]pyrene-2-yl)-7-oxa-3,4-dithia-3H-cyclopenta[a]pentalene-2-yl]-2,3-dihydrothieno[3,4-b]-1,4-dioxin-5-yl]propenoic acid
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