Chem
J-GLOBAL ID：201307019757000356   Nikkaji number：J3.215.193K

5,15,20-Tris(3,5-di-tert-butylphenyl)-8,12-bis(diphenylphosphino)-21H,23H-porphyrin

5,15,20-トリス(3,5-ジ-tert-ブチルフェニル)-8,12-ビス(ジフェニルホスフィノ)-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： C86H92N4P2
Molecular formula furigana： C86-H92-N4-P2
Molecular weight： 1243.658
InChI： InChI=1S/C86H92N4P2/c1-81(2,3)58-43-55(44-59(49-58)82(4,5)6)78-68-39-41-70(87-68)79(56-45-60(83(7,8)9)50-61(46-56)84(10,11)12)74-53-76(91(64-31-23-19-24-32-64)65-33-25-20-26-34-65)72(89-74)52-73-77(92(66-35-27-21-28-36-66)67-37-29-22-30-38-67)54-75(90-73)80(71-42-40-69(78)88-71)57-47-62(85(13,14)15)51-63(48-57)86(16,17)18/h19-54,87,90H,1-18H3/b72-52-,73-52-,78-68-,78-69-,79-70-,79-74-,80-71-,80-75-
InChI key： BAZFGLXTZXQCEE-NJKCELGMSA-N
SMILES： CC(C)(C)c1cc(cc(c1)C(C)(C)C)/C/1=c/2\cc/c(=C(/C3=N/C(=C\c4c(cc(/C(=C\5/C=CC1=N5)/c1cc(cc(c1)C(C)(C)C)C(C)(C)C)[nH]4)P(c1ccccc1)c1ccccc1)/C(=C3)P(c1ccccc1)c1ccccc1)\c1cc(cc(c1)C(C)(C)C)C(C)(C)C)/[nH]2
Systematic name  (4)：
  • 5,15,20-トリス(3,5-ジ-tert-ブチルフェニル)-8,12-ビス(ジフェニルホスフィノ)-21H,23H-ポルフィリン
  • 8,12-ビス(ジフェニルホスフィノ)-5,15,20-トリス(3,5-ジ-tert-ブチルフェニル)-21H,23H-ポルフィリン
  • 2,12,17-トリス(3,5-ジ-tert-ブチルフェニル)-5,9-ビス(ジフェニルホスファニル)-21,22,23,24-テトラアザペンタシクロ[16.2.1.13,6.18,11.113,16]テトラコサ-1,3,5,7,9,11(23),12,14,16,18(21),19-ウンデカエン
  • 2,12,17-tris(3,5-di-tert-butylphenyl)-5,9-bis(diphenylphosphanyl)-21,22,23,24-tetraazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3,5,7,9,11(23),12,14,16,18(21),19-undecaene
Other name (2)：
  • 5,15,20-Tris(3,5-di-tert-butylphenyl)-8,12-bis(diphenylphosphino)-21H,23H-porphyrin
  • 8,12-Bis(diphenylphosphino)-5,15,20-tris(3,5-di-tert-butylphenyl)-21H,23H-porphyrin
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