Chem
J-GLOBAL ID：200907030817973384
Nikkaji number：J2.733.161K
2,9-Bis(2,6-diisopropylphenyl)-5,12-bis[[4-(dibutylamino)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-(ジブチルアミノ)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 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
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
Molecular formula： C80H84N4O4
Molecular formula furigana： C80-H84-N4-O4
Molecular weight： 1165.576
InChI：
InChI=1S/C80H84N4O4/c1-13-17-43-81(44-18-14-2)57-35-29-53(30-36-57)27-33-55-47-67-71-65(77(85)83(79(67)87)75-59(49(5)6)23-21-24-60(75)50(7)8)42-40-64-70-56(34-28-54-31-37-58(38-32-54)82(45-19-15-3)46-20-16-4)48-68-72-66(41-39-63(74(70)72)69(55)73(64)71)78(86)84(80(68)88)76-61(51(9)10)25-22-26-62(76)52(11)12/h21-26,29-32,35-42,47-52H,13-20,43-46H2,1-12H3
InChI key：
ACZLGUDDCTVKCS-UHFFFAOYSA-N
SMILES：
CCCCN(CCCC)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(CCCC)CCCC)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-(ジブチルアミノ)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-(ジブチルアミノ)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-(dibutylamino)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
- 2,9-Bis(2,6-diisopropylphenyl)-5,12-bis[[4-(dibutylamino)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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