Chem
J-GLOBAL ID:200907088948303501
Nikkaji number:J2.592.458D
1,4-Bis[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolane-2-yl)phenyl]-2,3,5,6-tetrakis[4-(3,7-dimethyloctyl)phenyl]benzene
1,4-ビス[4-(4,4,5,5-テトラメチル-1,3,2-ジオキサボロラン-2-イル)フェニル]-2,3,5,6-テトラキス[4-(3,7-ジメチルオクチル)フェニル]ベンゼン
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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:
C94 H132 B2 O4
Molecular formula furigana:
C94-H132-B2-O4
Molecular weight:
1347.710
InChI:
InChI=1S/C94H132B2O4/c1-65(2)25-21-29-69(9)33-37-73-41-49-77(50-42-73)85-86(78-51-43-74(44-52-78)38-34-70(10)30-22-26-66(3)4)90(82-59-63-84(64-60-82)96-99-93(17,18)94(19,20)100-96)88(80-55-47-76(48-56-80)40-36-72(12)32-24-28-68(7)8)87(79-53-45-75(46-54-79)39-35-71(11)31-23-27-67(5)6)89(85)81-57-61-83(62-58-81)95-97-91(13,14)92(15,16)98-95/h41-72H,21-40H2,1-20H3
InChI key:
OPOMFAJORWSWTB-UHFFFAOYSA-N
SMILES:
CC(C)CCCC(C)CCc1ccc(cc1)c1c(c2ccc(CCC(C)CCCC(C)C)cc2)c(c2ccc(cc2)B2OC(C)(C)C(C)(C)O2)c(c2ccc(CCC(C)CCCC(C)C)cc2)c(c2ccc(CCC(C)CCCC(C)C)cc2)c1c1ccc(cc1)B1OC(C)(C)C(C)(C)O1
Systematic name (3):
1,4-ビス[4-(4,4,5,5-テトラメチル-1,3,2-ジオキサボロラン-2-イル)フェニル]-2,3,5,6-テトラキス[4-(3,7-ジメチルオクチル)フェニル]ベンゼン
4,4,5,5-テトラメチル-2-(4-{2,3,5,6-テトラキス[4-(3,7-ジメチルオクチル)フェニル]-4'-(4,4,5,5-テトラメチル-1,3,2-ジオキサボロラン-2-イル)-[1,1'-ビフェニル]-4-イル}フェニル)-1,3,2-ジオキサボロラン
4,4,5,5-tetramethyl-2-(4-{2,3,5,6-tetrakis[4-(3,7-dimethyloctyl)phenyl]-4'-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-[1,1'-biphenyl]-4-yl}phenyl)-1,3,2-dioxaborolane
Other name (1):
1,4-Bis[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolane-2-yl)phenyl]-2,3,5,6-tetrakis[4-(3,7-dimethyloctyl)phenyl]benzene
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