Chem
J-GLOBAL ID:200907040137819432   Nikkaji number:J2.347.321F

2-tert-Butyl-5,10,15,20-tetraisobutyl-2,3-dihydro-21H,23H-porphyrin

2-tert-ブチル-5,10,15,20-テトライソブチル-2,3-ジヒドロ-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: C40H56N4
Molecular formula furigana: C40-H56-N4
Molecular weight: 592.916
InChI: InChI=1S/C40H56N4/c1-23(2)18-27-32-12-13-33(41-32)28(19-24(3)4)35-16-17-37(43-35)30(21-26(7)8)39-31(40(9,10)11)22-38(44-39)29(20-25(5)6)36-15-14-34(27)42-36/h12-17,23-26,31,41,44H,18-22H2,1-11H3/b34-27-,35-28-,38-29-,39-30-
InChI key: WYBDFIIAFISFSD-AGEPNGPGSA-N
SMILES: CC(C)C/C/1=C/2\CC(/C(=C(\CC(C)C)/C3=N/C(=C(/CC(C)C)\c4ccc([nH]4)/C(=C\4/C=CC1=N4)/CC(C)C)/C=C3)/N2)C(C)(C)C
Systematic name  (3):
  • 2-tert-ブチル-5,10,15,20-テトライソブチル-2,3-ジヒドロ-21H,23H-ポルフィリン
  • 14-tert-ブチル-2,7,12,17-テトラキス(2-メチルプロピル)-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),12,16,18(21),19-デカエン
  • 14-tert-butyl-2,7,12,17-tetrakis(2-methylpropyl)-21,22,23,24-tetraazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3,5,7,9,11(23),12,16,18(21),19-decaene
Other name (1):
  • 2-tert-Butyl-5,10,15,20-tetraisobutyl-2,3-dihydro-21H,23H-porphyrin
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