Chem
J-GLOBAL ID：200907033141859388   Nikkaji number：J2.733.166A

2,9-Bis(2,6-diisopropylphenyl)-5,12-bis[[4-[4-(4-methoxyphenyl)-1-piperazinyl]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-[4-(4-メトキシフェニル)-1-ピペラジニル]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： C86H78N6O6
Molecular formula furigana： C86-H78-N6-O6
Molecular weight： 1291.606
InChI： InChI=1S/C86H78N6O6/c1-51(2)65-13-11-14-66(52(3)4)81(65)91-83(93)71-39-37-69-76-58(24-18-56-21-27-60(28-22-56)88-43-47-90(48-44-88)62-31-35-64(98-10)36-32-62)50-74-78-72(84(94)92(86(74)96)82-67(53(5)6)15-12-16-68(82)54(7)8)40-38-70(80(76)78)75-57(49-73(85(91)95)77(71)79(69)75)23-17-55-19-25-59(26-20-55)87-41-45-89(46-42-87)61-29-33-63(97-9)34-30-61/h11-16,19-22,25-40,49-54H,41-48H2,1-10H3
InChI key： QFCCEDMLQHVMFK-UHFFFAOYSA-N
SMILES： COc1ccc(cc1)N1CCN(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)N1CCN(CC1)c1ccc(OC)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-[4-(4-メトキシフェニル)-1-ピペラジニル]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-[4-(4-メトキシフェニル)ピペラジン-1-イル]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-[4-(4-methoxyphenyl)piperazin-1-yl]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-[4-(4-methoxyphenyl)-1-piperazinyl]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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