Chem
J-GLOBAL ID：201607003492191110   Nikkaji number：J3.524.904D

5,15,20-Tris(3,5-di-tert-butylphenyl)-7,8-[diphenylsilanediyl(1,2-phenylene)]-10,12-[diphenylsilanediyl(1,2-phenylene)]-21H,23H-porphyrin

5,15,20-トリス(3,5-ジ-tert-ブチルフェニル)-7,8-[ジフェニルシランジイル(1,2-フェニレン)]-10,12-[ジフェニルシランジイル(1,2-フェニレン)]-21H,23H-ポルフィリン
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： C98H98N4Si2
Molecular formula furigana： C98-H98-N4-SI2
Molecular weight： 1388.060
InChI： InChI=1S/C98H98N4Si2/c1-93(2,3)64-51-61(52-65(57-64)94(4,5)6)84-77-47-48-79(99-77)85(62-53-66(95(7,8)9)58-67(54-62)96(10,11)12)81-60-76-74-43-31-33-45-82(74)104(72-39-27-21-28-40-72,73-41-29-22-30-42-73)92(88(76)101-81)90-87-75-44-32-34-46-83(75)103(70-35-23-19-24-36-70,71-37-25-20-26-38-71)91(87)89(102-90)86(80-50-49-78(84)100-80)63-55-68(97(13,14)15)59-69(56-63)98(16,17)18/h19-60,100-101H,1-18H3/b84-77-,84-78-,85-79-,85-81-,86-80-,89-86-,92-90+
InChI key： DPXZYTVZSGODNK-NNYREJMSSA-N
SMILES： CC(C)(C)c1cc(cc(c1)C(C)(C)C)/C/1=c/2\cc/c(=C(/C3=N/C(=C\4/[Si](c5c(c6cc(/C(=C\7/C=CC1=N7)/c1cc(cc(c1)C(C)(C)C)C(C)(C)C)[nH]c46)cccc5)(c1ccccc1)c1ccccc1)/C1=C3[Si](c3c1cccc3)(c1ccccc1)c1ccccc1)\c1cc(cc(c1)C(C)(C)C)C(C)(C)C)/[nH]2
Systematic name  (4)：
  • 5,10,20-トリス(3,5-ジ-tert-ブチルフェニル)-13,15-[1,2-フェニレン(ジフェニルシランジイル)]-17,18-[1,2-フェニレン(ジフェニルシランジイル)]-21H,23H-ポルフィリン
  • 5,15,20-トリス(3,5-ジ-tert-ブチルフェニル)-7,8-[ジフェニルシランジイル(1,2-フェニレン)]-10,12-[ジフェニルシランジイル(1,2-フェニレン)]-21H,23H-ポルフィリン
  • 14,19,24-トリス(3,5-ジ-tert-ブチルフェニル)-3,3,27,27-テトラフェニル-12,35,36,37-テトラアザ-3,27-ジシラノナシクロ[23.9.1.110,13.115,18.120,23.02,11.04,9.026,34.028,33]オクタトリアコンタ-1,4,6,8,10,13(38),14,16,18(37),19,21,23,25(35),26(34),28,30,32-ヘプタデカエン
  • 14,19,24-tris(3,5-di-tert-butylphenyl)-3,3,27,27-tetraphenyl-12,35,36,37-tetraaza-3,27-disilanonacyclo[23.9.1.110,13.115,18.120,23.02,11.04,9.026,34.028,33]octatriaconta-1,4,6,8,10,13(38),14,16,18(37),19,21,23,25(35),26(34),28,30,32-heptadecaene
Other name (2)：
  • 5,15,20-Tris(3,5-di-tert-butylphenyl)-7,8-[diphenylsilanediyl(1,2-phenylene)]-10,12-[diphenylsilanediyl(1,2-phenylene)]-21H,23H-porphyrin
  • 5,10,20-Tris(3,5-di-tert-butylphenyl)-13,15-[1,2-phenylene(diphenylsilanediyl)]-17,18-[1,2-phenylene(diphenylsilanediyl)]-21H,23H-porphyrin
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