10,10′-[Tetramethylenebisoxybis(1,3-phenylene)]-5,5′-bi[20-(3,5-di-tert-butylphenyl)-21H,23H-porphyrin]

10,10′-[テトラメチレンビスオキシビス(1,3-フェニレン)]-5,5′-ビ[20-(3,5-ジ-tert-ブチルフェニル)-21H,23H-ポルフィリン]

Decided structure
Molecular formula： C₈₄H₈₀N₈O₂
Molecular formula furigana： C84-H80-N8-O2
Molecular weight： 1233.618

InChI： InChI=1S/C84H80N8O2/c1-81(2,3)53-39-51(40-54(45-53)82(4,5)6)77-65-27-23-59(87-65)47-57-21-25-63(85-57)75-49-17-15-19-61(43-49)93-37-13-14-38-94-62-20-16-18-50(44-62)76-64-26-22-58(86-64)48-60-24-28-66(88-60)78(52-41-55(83(7,8)9)46-56(42-52)84(10,11)12)70-32-36-74(92-70)80(72-34-30-68(76)90-72)79(71-33-29-67(75)89-71)73-35-31-69(77)91-73/h15-36,39-48,85-86,91-92H,13-14,37-38H2,1-12H3/b57-47-,58-48-,59-47-,60-48-,75-63-,75-67-,76-64-,76-68-,77-65-,77-69-,78-66-,78-70-,79-71+,79-73+,80-72+,80-74+

InChI key： JWUZHEBYQXAPKB-NUSWNLMWSA-N

SMILES： CC(C)(C)c1cc(cc(c1)C(C)(C)C)/C/1=c/2\cc/c(=C/3\C\4=C\5/C=CC(=N5)/C(=c\5/cc/c(=C/C6=N/C(=C(\c7ccc4[nH]7)/c4cc(cc(c4)C(C)(C)C)C(C)(C)C)/C=C6)/[nH]5)/c4cccc(OCCCCOc5cccc(/C(=C/6\C=CC3=N6)/c3ccc(/C=C\6/C=CC1=N6)[nH]3)c5)c4)/[nH]2

Systematic name (3)：

10,10′-[テトラメチレンビスオキシビス(1,3-フェニレン)]-5,5′-ビ[20-(3,5-ジ-tert-ブチルフェニル)-21H,23H-ポルフィリン]
7,44-ビス(3,5-ジ-tert-ブチルフェニル)-23,28-ジオキサ-53,54,55,56,63,64,65,66-オクタアザトリデカシクロ[32.14.4.4^2,17.1^3,6.1^8,11.1^13,16.1^18,22.1^29,33.1^35,38.1^40,43.1^45,48.1^49,52.1^59,62]ヘキサヘキサコンタ-1(49),2,4,6,8(64),9,11,13,15,17(59),18,20,22(58),29,31,33(57),34,36,38,40(55),41,43,45,47,50,52,60,62(66)-オクタコサエン
7,44-bis(3,5-di-tert-butylphenyl)-23,28-dioxa-53,54,55,56,63,64,65,66-octaazatridecacyclo[32.14.4.4^2,17.1^3,6.1^8,11.1^13,16.1^18,22.1^29,33.1^35,38.1^40,43.1^45,48.1^49,52.1^59,62]hexahexaconta-1(49),2,4,6,8(64),9,11,13,15,17(59),18,20,22(58),29,31,33(57),34,36,38,40(55),41,43,45,47,50,52,60,62(66)-octacosaene

Other name (1)：

10,10′-[Tetramethylenebisoxybis(1,3-phenylene)]-5,5′-bi[20-(3,5-di-tert-butylphenyl)-21H,23H-porphyrin]

Thsaurus map：

Thesaurus Map

Return to Previous Page