Chem
J-GLOBAL ID：200907061149838006   Nikkaji number：J2.733.163G

2,9-Bis(2,6-diisopropylphenyl)-5,12-bis[[4-[4-[4-[bis(4-methoxyphenyl)amino]benzoyl]-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-[ビス(4-メトキシフェニル)アミノ]ベンゾイル]-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： C114H100N8O10
Molecular formula furigana： C114-H100-N8-O10
Molecular weight： 1742.100
InChI： InChI=1S/C114H100N8O10/c1-69(2)91-15-13-16-92(70(3)4)107(91)121-111(125)97-57-55-95-102-78(26-20-74-23-33-80(34-24-74)116-61-65-118(66-62-116)110(124)76-29-37-82(38-30-76)120(85-43-51-89(131-11)52-44-85)86-45-53-90(132-12)54-46-86)68-100-104-98(112(126)122(114(100)128)108-93(71(5)6)17-14-18-94(108)72(7)8)58-56-96(106(102)104)101-77(67-99(113(121)127)103(97)105(95)101)25-19-73-21-31-79(32-22-73)115-59-63-117(64-60-115)109(123)75-27-35-81(36-28-75)119(83-39-47-87(129-9)48-40-83)84-41-49-88(130-10)50-42-84/h13-18,21-24,27-58,67-72H,59-66H2,1-12H3
InChI key： ZELXRMRMXMOHNQ-UHFFFAOYSA-N
SMILES： COc1ccc(cc1)N(c1ccc(OC)cc1)c1ccc(cc1)C(=O)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)C(=O)c1ccc(cc1)N(c1ccc(OC)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-[ビス(4-メトキシフェニル)アミノ]ベンゾイル]-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
  • 11,22-ビス({2-[4-(4-{4-[ビス(4-メトキシフェニル)アミノ]ベンゾイル}ピペラジン-1-イル)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-(4-{4-[bis(4-methoxyphenyl)amino]benzoyl}piperazin-1-yl)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-[4-[4-[bis(4-methoxyphenyl)amino]benzoyl]-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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