Chem
J-GLOBAL ID:200907040083509211   Nikkaji number:J2.481.719I

5,10-Bis(3-nitrophenyl)-15,20-bis(p-tolyl)-21H,23H-porphyrin

5,10-ビス(3-ニトロフェニル)-15,20-ビス(p-トリル)-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: C46H32N4[N+]2O2[O-]2
Molecular formula furigana: C46-H32-N6-O4
Molecular weight: 732.800
InChI: InChI=1S/C46H32N6O4/c1-27-9-13-29(14-10-27)43-35-17-18-36(47-35)44(30-15-11-28(2)12-16-30)38-20-22-40(49-38)46(32-6-4-8-34(26-32)52(55)56)42-24-23-41(50-42)45(39-21-19-37(43)48-39)31-5-3-7-33(25-31)51(53)54/h3-26,48-49H,1-2H3/b43-35-,43-37-,44-36-,44-38-,45-39-,45-41-,46-40-,46-42-
InChI key: XSDYKCGFJUTELK-VXBCHASASA-N
SMILES: Cc1ccc(cc1)/C/1=c/2\cc/c(=C(/C3=N/C(=C(\c4ccc(/C(=C\5/C=CC1=N5)/c1ccc(C)cc1)[nH]4)/c1cccc(c1)[N+](=O)[O-])/C=C3)\c1cccc(c1)[N+](=O)[O-])/[nH]2
Systematic name  (3):
  • 5,10-ビス(3-ニトロフェニル)-15,20-ビス(p-トリル)-21H,23H-ポルフィリン
  • 2,17-ビス(4-メチルフェニル)-7,12-ビス(3-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
  • 2,17-bis(4-methylphenyl)-7,12-bis(3-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):
  • 5,10-Bis(3-nitrophenyl)-15,20-bis(p-tolyl)-21H,23H-porphyrin
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