Chem
J-GLOBAL ID：200907019572826425   Nikkaji number：J2.733.162I

2,9-Bis(2,6-diisopropylphenyl)-5,12-bis[[4-[bis(4-butoxyphenyl)amino]phenyl]ethynyl]anthra[2,1,9-def:6,5,10-d′e′f′]diisoquinoline-1,3,8,10(2H,9H)-tetraone

2,9-ビス(2,6-ジイソプロピルフェニル)-5,12-ビス[[4-[ビス(4-ブトキシフェニル)アミノ]フェニル]エチニル]アントラ[2,1,9-def:6,5,10-d′e′f′]ジイソキノリン-1,3,8,10(2H,9H)-テトラオン
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： C104H100N4O8
Molecular formula furigana： C104-H100-N4-O8
Molecular weight： 1533.964
InChI： InChI=1S/C104H100N4O8/c1-13-17-59-113-79-47-39-75(40-48-79)105(76-41-49-80(50-42-76)114-60-18-14-2)73-35-29-69(30-36-73)27-33-71-63-91-95-89(101(109)107(103(91)111)99-83(65(5)6)23-21-24-84(99)66(7)8)58-56-88-94-72(34-28-70-31-37-74(38-32-70)106(77-43-51-81(52-44-77)115-61-19-15-3)78-45-53-82(54-46-78)116-62-20-16-4)64-92-96-90(57-55-87(98(94)96)93(71)97(88)95)102(110)108(104(92)112)100-85(67(9)10)25-22-26-86(100)68(11)12/h21-26,29-32,35-58,63-68H,13-20,59-62H2,1-12H3
InChI key： IYUMMEVIEHBWST-UHFFFAOYSA-N
SMILES： CCCCOc1ccc(cc1)N(c1ccc(OCCCC)cc1)c1ccc(cc1)C#Cc1cc2c3c(ccc4c5c(cc6c7c(ccc(c1c34)c57)c(=O)n(c1c(cccc1C(C)C)C(C)C)c6=O)C#Cc1ccc(cc1)N(c1ccc(OCCCC)cc1)c1ccc(OCCCC)cc1)c(=O)n(c1c(cccc1C(C)C)C(C)C)c2=O
Systematic name  (3)：
  • 2,9-ビス(2,6-ジイソプロピルフェニル)-5,12-ビス[[4-[ビス(4-ブトキシフェニル)アミノ]フェニル]エチニル]アントラ[2,1,9-def:6,5,10-d′e′f′]ジイソキノリン-1,3,8,10(2H,9H)-テトラオン
  • 11,22-ビス(2-{4-[ビス(4-ブトキシフェニル)アミノ]フェニル}エチニル)-7,18-ビス[2,6-ビス(プロパン-2-イル)フェニル]-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(22),2(26),3,5(25),9,11,13,15,20,23-デカエン-6,8,17,19-テトラオン
  • 11,22-bis(2-{4-[bis(4-butoxyphenyl)amino]phenyl}ethynyl)-7,18-bis[2,6-bis(propan-2-yl)phenyl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,8,17,19-tetrone
Other name (1)：
  • 2,9-Bis(2,6-diisopropylphenyl)-5,12-bis[[4-[bis(4-butoxyphenyl)amino]phenyl]ethynyl]anthra[2,1,9-def:6,5,10-d′e′f′]diisoquinoline-1,3,8,10(2H,9H)-tetraone
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