Chem
J-GLOBAL ID：200907008333040868   Nikkaji number：J2.733.165C

2,9-Bis(2,6-diisopropylphenyl)-5,12-bis[[4′-(dimesitylboryl)-4-biphenylyl]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′-(ジメシチルボリル)-4-ビフェニリル]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： C112H100B2N2O4
Molecular formula furigana： C112-H100-B2-N2-O4
Molecular weight： 1559.660
InChI： InChI=1S/C112H100B2N2O4/c1-61(2)87-23-21-24-88(62(3)4)107(87)115-109(117)93-49-47-91-98-84(38-32-78-29-35-80(36-30-78)82-41-45-86(46-42-82)114(105-73(17)55-67(11)56-74(105)18)106-75(19)57-68(12)58-76(106)20)60-96-100-94(110(118)116(112(96)120)108-89(63(5)6)25-22-26-90(108)64(7)8)50-48-92(102(98)100)97-83(59-95(111(115)119)99(93)101(91)97)37-31-77-27-33-79(34-28-77)81-39-43-85(44-40-81)113(103-69(13)51-65(9)52-70(103)14)104-71(15)53-66(10)54-72(104)16/h21-30,33-36,39-64H,1-20H3
InChI key： AKWXIIYKLPRCNG-UHFFFAOYSA-N
SMILES： CC(C)c1cccc(C(C)C)c1n1c(=O)c2ccc3c4c(cc5c6c(ccc(c7c(cc(c2c37)c1=O)C#Cc1ccc(cc1)c1ccc(cc1)B(c1c(C)cc(C)cc1C)c1c(C)cc(C)cc1C)c46)c(=O)n(c1c(cccc1C(C)C)C(C)C)c5=O)C#Cc1ccc(cc1)c1ccc(cc1)B(c1c(C)cc(C)cc1C)c1c(C)cc(C)cc1C
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′-(ジメシチルボリル)-4-ビフェニリル]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(2,4,6-トリメチルフェニル)ボラニル]-[1,1'-ビフェニル]-4-イル}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(2,4,6-trimethylphenyl)boranyl]-[1,1'-biphenyl]-4-yl}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′-(dimesitylboryl)-4-biphenylyl]ethynyl]anthra[2,1,9-def:6,5,10-d′e′f′]diisoquinoline-1,3,8,10(2H,9H)-tetraone
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