Chem
J-GLOBAL ID:201007011502317990   Nikkaji number:J2.828.826C

1-Methyl-3-butyl-1,3-[5,10,15,20-tetrakis(4-tert-butylphenyl)-21H,23H-porphyrin-7,8-diyl]-1,3-diazapropane-2-ylium

1-メチル-3-ブチル-1,3-[5,10,15,20-テトラキス(4-tert-ブチルフェニル)-21H,23H-ポルフィリン-7,8-ジイル]-1,3-ジアザプロパン-2-イリウム
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: C65[C+]H73N6
Molecular formula furigana: C66-H73-N6
Molecular weight: 950.351
InChI: InChI=1S/C66H73N6/c1-15-16-39-72-40-71(14)61-59-57(43-21-29-47(30-22-43)65(8,9)10)53-37-35-51(68-53)55(41-17-25-45(26-18-41)63(2,3)4)49-33-34-50(67-49)56(42-19-27-46(28-20-42)64(5,6)7)52-36-38-54(69-52)58(60(70-59)62(61)72)44-23-31-48(32-24-44)66(11,12)13/h17-38,40,68-69H,15-16,39H2,1-14H3/q+1/b55-49-,55-51-,56-50-,56-52-,57-53-,58-54-,59-57-,60-58-
InChI key: LILLSAUJVALHDW-QDJJADCTSA-N
SMILES: CCCCN1[CH+]N(C)C2=C1/C/1=C(\c3ccc(cc3)C(C)(C)C)/c3ccc([nH]3)/C(=C\3/C=CC(=N3)/C(=c\3/cc/c(=C(/C2=N1)\c1ccc(cc1)C(C)(C)C)/[nH]3)/c1ccc(cc1)C(C)(C)C)/c1ccc(cc1)C(C)(C)C
Systematic name  (3):
  • 1-メチル-3-ブチル-1,3-[5,10,15,20-テトラキス(4-tert-ブチルフェニル)-21H,23H-ポルフィリン-7,8-ジイル]-1,3-ジアザプロパン-2-イリウム
  • 22-ブチル-2,7,12,17-テトラキス(4-tert-ブチルフェニル)-20-メチル-20,22,24,25,26,27-ヘキサアザヘキサシクロ[16.5.1.13,6.18,11.113,16.019,23]ヘプタコサ-1,3,5,7,9,11(26),12,14,16,18(24),19(23)-ウンデカエン-21-イリウム
  • 22-butyl-2,7,12,17-tetrakis(4-tert-butylphenyl)-20-methyl-20,22,24,25,26,27-hexaazahexacyclo[16.5.1.13,6.18,11.113,16.019,23]heptacosa-1,3,5,7,9,11(26),12,14,16,18(24),19(23)-undecaen-21-ylium
Other name (1):
  • 1-Methyl-3-butyl-1,3-[5,10,15,20-tetrakis(4-tert-butylphenyl)-21H,23H-porphyrin-7,8-diyl]-1,3-diazapropane-2-ylium
Thsaurus map:

Return to Previous Page