Chem
J-GLOBAL ID：200907010098333334
Nikkaji number：J1.991.398H
4,4′′-[2,2′-Bipyridine-6,6′-diylbis[methyleneoxy(3,5-dimethyl-1,4-phenylene)]]-4′,4′′′-[2,2′-bipyridine-6,6′-diylbis[methyleneoxy(3,5-dimethyl-1,4-phenylene)]]bis(2,2′:6′,2′′-terpyridine)
4,4′′-[2,2′-ビピリジン-6,6′-ジイルビス[メチレンオキシ(3,5-ジメチル-1,4-フェニレン)]]-4′,4′′′-[2,2′-ビピリジン-6,6′-ジイルビス[メチレンオキシ(3,5-ジメチル-1,4-フェニレン)]]ビス(2,2′:6′,2′′-テルピリジン)
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： C86H70N10O4
Molecular formula furigana： C86-H70-N10-O4
Molecular weight： 1307.572
InChI：
InChI=1S/C86H70N10O4/c1-51-34-67(35-52(2)83(51)59-27-31-88-78(42-59)77-26-15-25-72(95-77)71-20-9-10-30-87-71)97-47-63-16-11-23-75(91-63)76-24-14-19-66(94-76)50-100-70-40-57(7)86(58(8)41-70)62-45-81-79-43-60(28-32-89-79)84-53(3)36-68(37-54(84)4)98-48-64-17-12-21-73(92-64)74-22-13-18-65(93-74)49-99-69-38-55(5)85(56(6)39-69)61-29-33-90-80(44-61)82(46-62)96-81/h9-46H,47-50H2,1-8H3
InChI key：
NPNLVLVTPAEGSH-UHFFFAOYSA-N
SMILES：
Cc1cc(OCc2cccc(n2)c2cccc(COc3cc(C)c(c(C)c3)c3cc4nc(c3)c3cc(ccn3)c3c(C)cc(OCc5cccc(n5)c5cccc(COc6cc(C)c(c(C)c6)c6ccnc4c6)n5)cc3C)n2)cc(C)c1c1ccnc(c1)c1cccc(n1)c1ccccn1
Systematic name (3)：
- 4,4′′-[2,2′-ビピリジン-6,6′-ジイルビス[メチレンオキシ(3,5-ジメチル-1,4-フェニレン)]]-4′,4′′′-[2,2′-ビピリジン-6,6′-ジイルビス[メチレンオキシ(3,5-ジメチル-1,4-フェニレン)]]ビス(2,2′:6′,2′′-テルピリジン)
- 9-{4-[(6'-{[4-(2-{[2,2'-ビピリジン]-6-イル}ピリジン-4-イル)-3,5-ジメチルフェノキシ]メチル}-[2,2'-ビピリジン]-6-イル)メトキシ]-2,6-ジメチルフェニル}-18,37,38,43-テトラメチル-21,34-ジオキサ-5,13,40,41,45-ペンタアザオクタシクロ[33.2.2.217,20.12,6.17,11.112,16.123,27.128,32]ヘキサテトラコンタ-1(37),2,4,6(46),7,9,11(45),12(44),13,15,17,19,23(41),24,26,28(40),29,31,35,38,42-ヘンイコサエン
- 9-{4-[(6'-{[4-(2-{[2,2'-bipyridin]-6-yl}pyridin-4-yl)-3,5-dimethylphenoxy]methyl}-[2,2'-bipyridin]-6-yl)methoxy]-2,6-dimethylphenyl}-18,37,38,43-tetramethyl-21,34-dioxa-5,13,40,41,45-pentaazaoctacyclo[33.2.2.217,20.12,6.17,11.112,16.123,27.128,32]hexatetraconta-1(37),2,4,6(46),7,9,11(45),12(44),13,15,17,19,23(41),24,26,28(40),29,31,35,38,42-henicosaene
- 4,4′′-[2,2′-Bipyridine-6,6′-diylbis[methyleneoxy(3,5-dimethyl-1,4-phenylene)]]-4′,4′′′-[2,2′-bipyridine-6,6′-diylbis[methyleneoxy(3,5-dimethyl-1,4-phenylene)]]bis(2,2′:6′,2′′-terpyridine)
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