Chem
J-GLOBAL ID：200907007384552158   Nikkaji number：J2.733.164E

2,9-Bis(2,6-diisopropylphenyl)-5,12-bis[[4-(dimesitylboryl)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-(ジメシチルボリル)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： C100H92B2N2O4
Molecular formula furigana： C100-H92-B2-N2-O4
Molecular weight： 1407.470
InChI： InChI=1S/C100H92B2N2O4/c1-53(2)75-23-21-24-76(54(3)4)95(75)103-97(105)81-41-39-79-86-72(34-28-70-31-37-74(38-32-70)102(93-65(17)47-59(11)48-66(93)18)94-67(19)49-60(12)50-68(94)20)52-84-88-82(98(106)104(100(84)108)96-77(55(5)6)25-22-26-78(96)56(7)8)42-40-80(90(86)88)85-71(51-83(99(103)107)87(81)89(79)85)33-27-69-29-35-73(36-30-69)101(91-61(13)43-57(9)44-62(91)14)92-63(15)45-58(10)46-64(92)16/h21-26,29-32,35-56H,1-20H3
InChI key： GRGAUXDQGLWGED-UHFFFAOYSA-N
SMILES： CC(C)c1cccc(C(C)C)c1n1c(=O)c2ccc3c4c(cc5c6c(ccc(c7c(cc(c2c37)c1=O)C#Cc1ccc(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)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)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(2,4,6-トリメチルフェニル)ボラニル]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-[bis(2,4,6-trimethylphenyl)boranyl]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-(dimesitylboryl)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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