Chem
J-GLOBAL ID：200907026761121307   Nikkaji number：J2.733.160B

2,9-Bis(2,6-diisopropylphenyl)-5,12-bis[[4-[bis(4-methoxyphenyl)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-メトキシフェニル)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： C92H76N4O8
Molecular formula furigana： C92-H76-N4-O8
Molecular weight： 1365.640
InChI： InChI=1S/C92H76N4O8/c1-53(2)71-15-13-16-72(54(3)4)87(71)95-89(97)77-49-47-75-82-60(26-20-58-23-29-62(30-24-58)94(65-35-43-69(103-11)44-36-65)66-37-45-70(104-12)46-38-66)52-80-84-78(90(98)96(92(80)100)88-73(55(5)6)17-14-18-74(88)56(7)8)50-48-76(86(82)84)81-59(51-79(91(95)99)83(77)85(75)81)25-19-57-21-27-61(28-22-57)93(63-31-39-67(101-9)40-32-63)64-33-41-68(102-10)42-34-64/h13-18,21-24,27-56H,1-12H3
InChI key： CRHRQLBXBRYIKQ-UHFFFAOYSA-N
SMILES： COc1ccc(cc1)N(c1ccc(OC)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(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-[ビス(4-メトキシフェニル)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-メトキシフェニル)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-methoxyphenyl)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-methoxyphenyl)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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