Chem
J-GLOBAL ID：200907012079072042   Nikkaji number：J1.465.913G

2,2′-(1,2,3,8,9,10-Hexahydro-5,6,12,13-tetrakis(4-methylphenoxy)anthra[2,1,9-def:6,5,10-d′e′f′]diisoquinoline-2,9-diyl)dibenzoic acid

2,2′-(1,2,3,8,9,10-ヘキサヒドロ-5,6,12,13-テトラキス(4-メチルフェノキシ)アントラ[2,1,9-def:6,5,10-d′e′f′]ジイソキノリン-2,9-ジイル)二安息香酸
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： C66H50N2O8
Molecular formula furigana： C66-H50-N2-O8
Molecular weight： 999.132
InChI： InChI=1S/C66H50N2O8/c1-37-13-21-45(22-14-37)73-53-29-41-33-67(51-11-7-5-9-49(51)65(69)70)34-42-31-55(75-47-25-17-39(3)18-26-47)61-62-56(76-48-27-19-40(4)20-28-48)32-44-36-68(52-12-8-6-10-50(52)66(71)72)35-43-30-54(74-46-23-15-38(2)16-24-46)60(64(62)58(43)44)59(53)63(61)57(41)42/h5-32H,33-36H2,1-4H3,(H,69,70)(H,71,72)
InChI key： WHHDIFMENOWQNO-UHFFFAOYSA-N
SMILES： Cc1ccc(Oc2cc3CN(Cc4cc(Oc5ccc(C)cc5)c5c6c(Oc7ccc(C)cc7)cc7CN(Cc8cc(Oc9ccc(C)cc9)c(c2c5c34)c6c78)c2ccccc2C(=O)O)c2ccccc2C(=O)O)cc1
Systematic name  (3)：
  • 2,2′-(1,2,3,8,9,10-ヘキサヒドロ-5,6,12,13-テトラキス(4-メチルフェノキシ)アントラ[2,1,9-def:6,5,10-d′e′f′]ジイソキノリン-2,9-ジイル)二安息香酸
  • 2-[18-(2-カルボキシフェニル)-11,14,22,26-テトラキス(4-メチルフェノキシ)-7,18-ジアザヘプタシクロ[14.6.2.22,5.03,12.04,9.013,23.020,24]ヘキサコサ-1(23),2(26),3,5(25),9,11,13,15,20(24),21-デカエン-7-イル]安息香酸
  • 2-[18-(2-carboxyphenyl)-11,14,22,26-tetrakis(4-methylphenoxy)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2(26),3,5(25),9,11,13,15,20(24),21-decaen-7-yl]benzoic acid
Other name (1)：
  • 2,2′-(1,2,3,8,9,10-Hexahydro-5,6,12,13-tetrakis(4-methylphenoxy)anthra[2,1,9-def:6,5,10-d′e′f′]diisoquinoline-2,9-diyl)dibenzoic acid
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