Chem
J-GLOBAL ID：200907034369639635   Nikkaji number：J1.190.849G

2,8,12,18-Tetrabutyl-3,7,13,17-tetramethyl-5,15-bis(4-pyridyl)-21H,23H-porphyrin

2,8,12,18-テトラブチル-3,7,13,17-テトラメチル-5,15-ビス(4-ピリジル)-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： C50H60N6
Molecular formula furigana： C50-H60-N6
Molecular weight： 745.072
InChI： InChI=1S/C50H60N6/c1-9-13-17-37-31(5)47-45(35-21-25-51-26-22-35)48-33(7)39(19-15-11-3)43(55-48)30-44-40(20-16-12-4)34(8)50(56-44)46(36-23-27-52-28-24-36)49-32(6)38(18-14-10-2)42(54-49)29-41(37)53-47/h21-30,53,56H,9-20H2,1-8H3/b41-29-,42-29-,43-30-,44-30-,47-45-,48-45-,49-46-,50-46-
InChI key： QEEFVKNKMBGNDD-PXNLEOGWSA-N
SMILES： CCCCC1=C(C)C2=N/C/1=C\c1[nH]c(c(C)c1CCCC)/C(=C/1\N=C(/C=c/3\[nH]/c(=C\2/c2ccncc2)/c(C)c3CCCC)C(=C1C)CCCC)/c1ccncc1
Systematic name  (3)：
  • 2,8,12,18-テトラブチル-3,7,13,17-テトラメチル-5,15-ビス(4-ピリジル)-21H,23H-ポルフィリン
  • 2,8,12,18-テトラブチル-3,7,13,17-テトラメチル-5,15-ビス(4-ピリジニル)-21H,23H-ポルフィリン
  • 5,15-ビス(4-ピリジル)-2,8,12,18-テトラブチル-3,7,13,17-テトラメチル-21H,23H-ポルフィリン
Other name (3)：
  • 2,8,12,18-Tetrabutyl-3,7,13,17-tetramethyl-5,15-bis(4-pyridinyl)-21H,23H-porphyrin
  • 5,15-Bis(4-pyridyl)-2,8,12,18-tetrabutyl-3,7,13,17-tetramethyl-21H,23H-porphyrin
  • 2,8,12,18-Tetrabutyl-3,7,13,17-tetramethyl-5,15-bis(4-pyridyl)-21H,23H-porphyrin
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