Chem
J-GLOBAL ID:200907034069288008   Nikkaji number:J1.573.322E

5,10,15,20-Tetrakis[3,5-bis(4-tert-butylphenyl)phenyl]-21H,23H-porphyrin

5,10,15,20-テトラキス[3,5-ビス(4-tert-ブチルフェニル)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: C124H126N4
Molecular formula furigana: C124-H126-N4
Molecular weight: 1672.400
InChI: InChI=1S/C124H126N4/c1-117(2,3)97-41-25-77(26-42-97)85-65-86(78-27-43-98(44-28-78)118(4,5)6)70-93(69-85)113-105-57-59-107(125-105)114(94-71-87(79-29-45-99(46-30-79)119(7,8)9)66-88(72-94)80-31-47-100(48-32-80)120(10,11)12)109-61-63-111(127-109)116(96-75-91(83-37-53-103(54-38-83)123(19,20)21)68-92(76-96)84-39-55-104(56-40-84)124(22,23)24)112-64-62-110(128-112)115(108-60-58-106(113)126-108)95-73-89(81-33-49-101(50-34-81)121(13,14)15)67-90(74-95)82-35-51-102(52-36-82)122(16,17)18/h25-76,125,128H,1-24H3/b113-105-,113-106-,114-107-,114-109-,115-108-,115-110-,116-111-,116-112-
InChI key: FSIZMGTYGJUJGC-YMFLONEISA-N
SMILES: CC(C)(C)c1ccc(cc1)c1cc(cc(c1)/C/1=c/2\cc/c(=C(/C3=N/C(=C(\c4ccc(/C(=C\5/C=CC1=N5)/c1cc(cc(c1)c1ccc(cc1)C(C)(C)C)c1ccc(cc1)C(C)(C)C)[nH]4)/c1cc(cc(c1)c1ccc(cc1)C(C)(C)C)c1ccc(cc1)C(C)(C)C)/C=C3)\c1cc(cc(c1)c1ccc(cc1)C(C)(C)C)c1ccc(cc1)C(C)(C)C)/[nH]2)c1ccc(cc1)C(C)(C)C
Systematic name  (5):
  • 5,10,15,20-テトラキス(4,4′′-ジ-tert-ブチル-1,1′:3′,1′′-テルベンゼン-5′-イル)-21H,23H-ポルフィリン
  • 5,10,15,20-テトラキス[3,5-ビス(4-tert-ブチルフェニル)フェニル]-21H,23H-ポルフィリン
  • 5,10,15,20-テトラキス[4,4′′-ジ-tert-ブチル-1,1′:3′,1′′-テルベンゼン-5′-イル]-21H,23H-ポルフィリン
  • 2,7,12,17-テトラキス[4'-tert-ブチル-5-(4-tert-ブチルフェニル)-[1,1'-ビフェニル]-3-イル]-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
  • 2,7,12,17-tetrakis[4'-tert-butyl-5-(4-tert-butylphenyl)-[1,1'-biphenyl]-3-yl]-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 (3):
  • 5,10,15,20-Tetrakis(4,4′′-di-tert-butyl-1,1′:3′,1′′-terbenzen-5′-yl)-21H,23H-porphyrin
  • 5,10,15,20-Tetrakis[3,5-bis(4-tert-butylphenyl)phenyl]-21H,23H-porphyrin
  • 5,10,15,20-Tetrakis[4,4′′-di-tert-butyl-1,1′:3′,1′′-terbenzen-5′-yl]-21H,23H-porphyrin
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