Chem
J-GLOBAL ID：200907074939484195   Nikkaji number：J2.733.159I

2,9-Bis(2,6-diisopropylphenyl)-5,12-bis[[4-(diphenylamino)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-(ジフェニルアミノ)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： C88H68N4O4
Molecular formula furigana： C88-H68-N4-O4
Molecular weight： 1245.536
InChI： InChI=1S/C88H68N4O4/c1-53(2)67-31-21-32-68(54(3)4)83(67)91-85(93)73-49-47-71-78-60(42-36-58-39-45-66(46-40-58)90(63-27-17-11-18-28-63)64-29-19-12-20-30-64)52-76-80-74(86(94)92(88(76)96)84-69(55(5)6)33-22-34-70(84)56(7)8)50-48-72(82(78)80)77-59(51-75(87(91)95)79(73)81(71)77)41-35-57-37-43-65(44-38-57)89(61-23-13-9-14-24-61)62-25-15-10-16-26-62/h9-34,37-40,43-56H,1-8H3
InChI key： KSIISAIESUDUTJ-UHFFFAOYSA-N
SMILES： CC(C)c1cccc(C(C)C)c1n1c(=O)c2ccc3c4c(cc5c6c(ccc(c7c(cc(c2c37)c1=O)C#Cc1ccc(cc1)N(c1ccccc1)c1ccccc1)c46)c(=O)n(c1c(cccc1C(C)C)C(C)C)c5=O)C#Cc1ccc(cc1)N(c1ccccc1)c1ccccc1
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-(ジフェニルアミノ)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
  • 7,18-ビス[2,6-ビス(プロパン-2-イル)フェニル]-11,22-ビス({2-[4-(ジフェニルアミノ)フェニル]エチニル})-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
  • 7,18-bis[2,6-bis(propan-2-yl)phenyl]-11,22-bis({2-[4-(diphenylamino)phenyl]ethynyl})-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-(diphenylamino)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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