Chem
J-GLOBAL ID：200907078101398098   Nikkaji number：J2.172.783K

3-[4-[6-[4-[α,α-Bis(4-tert-butylphenyl)-4-tert-butylbenzyl]benzyl]-2,2′:6′,2′′-terpyridine-6′′-ylmethoxy]phenyl]-8-[4-[3,5-[1,10-phenanthroline-2,9-diylbis(1,4-phenylene)bis(1,4,7-trioxaheptane-1,7-diyl)]benzyloxy]phenyl]-2,9-dimethyl-1,10-phenanthroline

3-[4-[6-[4-[α,α-ビス(4-tert-ブチルフェニル)-4-tert-ブチルベンジル]ベンジル]-2,2′:6′,2′′-テルピリジン-6′′-イルメトキシ]フェニル]-8-[4-[3,5-[1,10-フェナントロリン-2,9-ジイルビス(1,4-フェニレン)ビス(1,4,7-トリオキサヘプタン-1,7-ジイル)]ベンジルオキシ]フェニル]-2,9-ジメチル-1,10-フェナントロリン
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： C119H109N7O8
Molecular formula furigana： C119-H109-N7-O8
Molecular weight： 1765.222
InChI： InChI=1S/C119H109N7O8/c1-77-104(81-27-51-100(52-28-81)133-75-80-70-102-74-103(71-80)132-68-64-128-62-66-130-99-57-33-84(34-58-99)107-60-36-86-24-23-85-35-59-106(125-112(85)113(86)126-107)83-31-55-98(56-32-83)129-65-61-127-63-67-131-102)72-87-25-26-88-73-105(78(2)121-115(88)114(87)120-77)82-29-53-101(54-30-82)134-76-97-16-13-18-109(123-97)111-20-14-19-110(124-111)108-17-12-15-96(122-108)69-79-21-37-92(38-22-79)119(93-45-39-89(40-46-93)116(3,4)5,94-47-41-90(42-48-94)117(6,7)8)95-49-43-91(44-50-95)118(9,10)11/h12-60,70-74H,61-69,75-76H2,1-11H3
InChI key： AKSWVHMBCWETLR-UHFFFAOYSA-N
SMILES： Cc1nc2c(ccc3cc(c(C)nc23)c2ccc(OCc3cccc(n3)c3cccc(n3)c3cccc(Cc4ccc(cc4)C(c4ccc(cc4)C(C)(C)C)(c4ccc(cc4)C(C)(C)C)c4ccc(cc4)C(C)(C)C)n3)cc2)cc1c1ccc(OCc2cc3OCCOCCOc4ccc(cc4)c4ccc5ccc6ccc(nc6c5n4)c4ccc(OCCOCCOc(c2)c3)cc4)cc1
Systematic name  (3)：
  • 3-[4-[6-[4-[α,α-ビス(4-tert-ブチルフェニル)-4-tert-ブチルベンジル]ベンジル]-2,2′:6′,2′′-テルピリジン-6′′-イルメトキシ]フェニル]-8-[4-[3,5-[1,10-フェナントロリン-2,9-ジイルビス(1,4-フェニレン)ビス(1,4,7-トリオキサヘプタン-1,7-ジイル)]ベンジルオキシ]フェニル]-2,9-ジメチル-1,10-フェナントロリン
  • 15-[(4-{2,9-ジメチル-8-[4-({6-[6'-({4-[トリス(4-tert-ブチルフェニル)メチル]フェニル}メチル)-[2,2'-ビピリジン]-6-イル]ピリジン-2-イル}メトキシ)フェニル]-1,10-フェナントロリン-3-イル}フェノキシ)メチル]-6,9,12,18,21,24-ヘキサオキサ-38,41-ジアザヘプタシクロ[27.8.4.22,5.225,28.113,17.032,40.035,39]ヘキサテトラコンタ-1(37),2,4,13,15,17(44),25,27,29,31,33,35,38,40,42,45-ヘキサデカエン
  • 15-[(4-{2,9-dimethyl-8-[4-({6-[6'-({4-[tris(4-tert-butylphenyl)methyl]phenyl}methyl)-[2,2'-bipyridin]-6-yl]pyridin-2-yl}methoxy)phenyl]-1,10-phenanthrolin-3-yl}phenoxy)methyl]-6,9,12,18,21,24-hexaoxa-38,41-diazaheptacyclo[27.8.4.22,5.225,28.113,17.032,40.035,39]hexatetraconta-1(37),2,4,13,15,17(44),25,27,29,31,33,35,38,40,42,45-hexadecaene
Other name (1)：
  • 3-[4-[6-[4-[α,α-Bis(4-tert-butylphenyl)-4-tert-butylbenzyl]benzyl]-2,2′:6′,2′′-terpyridine-6′′-ylmethoxy]phenyl]-8-[4-[3,5-[1,10-phenanthroline-2,9-diylbis(1,4-phenylene)bis(1,4,7-trioxaheptane-1,7-diyl)]benzyloxy]phenyl]-2,9-dimethyl-1,10-phenanthroline
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