Chem
J-GLOBAL ID：200907082353603465   Nikkaji number：J1.584.946K

5,15-Bis(4-nitrophenyl)-10,20-bis(3,5-di-tert-butylphenyl)-21H,23H-porphyrin

5,15-ビス(4-ニトロフェニル)-10,20-ビス(3,5-ジ-tert-ブチルフェニル)-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： C60H60N4[N+]2O2[O-]2
Molecular formula furigana： C60-H60-N6-O4
Molecular weight： 929.178
InChI： InChI=1S/C60H60N6O4/c1-57(2,3)39-29-37(30-40(33-39)58(4,5)6)55-49-25-21-45(61-49)53(35-13-17-43(18-14-35)65(67)68)47-23-27-51(63-47)56(38-31-41(59(7,8)9)34-42(32-38)60(10,11)12)52-28-24-48(64-52)54(46-22-26-50(55)62-46)36-15-19-44(20-16-36)66(69)70/h13-34,61,64H,1-12H3/b53-45-,53-47-,54-46-,54-48-,55-49-,55-50-,56-51-,56-52-
InChI key： ZMGHWMZSLLZCJU-CXZQUEIZSA-N
SMILES： CC(C)(C)c1cc(cc(c1)C(C)(C)C)/C/1=c/2\cc/c(=C(/C3=N/C(=C(\c4ccc(/C(=C\5/C=CC1=N5)/c1ccc(cc1)[N+](=O)[O-])[nH]4)/c1cc(cc(c1)C(C)(C)C)C(C)(C)C)/C=C3)\c1ccc(cc1)[N+](=O)[O-])/[nH]2
Systematic name  (3)：
  • 5,15-ビス(4-ニトロフェニル)-10,20-ビス(3,5-ジ-tert-ブチルフェニル)-21H,23H-ポルフィリン
  • 2,12-ビス(3,5-ジ-tert-ブチルフェニル)-7,17-ビス(4-ニトロフェニル)-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-bis(3,5-di-tert-butylphenyl)-7,17-bis(4-nitrophenyl)-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 (1)：
  • 5,15-Bis(4-nitrophenyl)-10,20-bis(3,5-di-tert-butylphenyl)-21H,23H-porphyrin
Thsaurus map：
Thesaurus Map

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