Chem
J-GLOBAL ID：200907064113614380   Nikkaji number：J1.219.075A

2,3,7,8,12,13,17,18-Octaethyl-5-ethynyl-21H,23H-porphyrin

2,3,7,8,12,13,17,18-オクタエチル-5-エチニル-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： C38H46N4
Molecular formula furigana： C38-H46-N4
Molecular weight： 558.814
InChI： InChI=1S/C38H46N4/c1-10-22-24(12-3)33-20-35-26(14-5)28(16-7)37(41-35)30(18-9)38-29(17-8)27(15-6)36(42-38)21-34-25(13-4)23(11-2)32(40-34)19-31(22)39-33/h9,19-21,39,42H,10-17H2,1-8H3/b31-19-,32-19-,33-20-,34-21-,35-20-,36-21-,37-30-,38-30-
InChI key： RCMRVIYETKCDOK-JANFVAIBSA-N
SMILES： CCC1=C(CC)/C/2=C/c3[nH]c(c(CC)c3CC)/C(=C/3\N=C(/C=c/4\[nH]/c(=C\C1=N2)/c(CC)c4CC)C(=C3CC)CC)/C#C
Systematic name  (2)：
  • 2,3,7,8,12,13,17,18-オクタエチル-5-エチニル-21H,23H-ポルフィリン
  • 5-エチニル-2,3,7,8,12,13,17,18-オクタエチル-21H,23H-ポルフィリン
Other name (2)：
  • 2,3,7,8,12,13,17,18-Octaethyl-5-ethynyl-21H,23H-porphyrin
  • 5-Ethynyl-2,3,7,8,12,13,17,18-octaethyl-21H,23H-porphyrin
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