Chem
J-GLOBAL ID：200907014680527610   Nikkaji number：J2.096.362J

2,3,7,8,12,13,17,18-Octaethyl-15-[4-(2,3,7,8,12,13,17,18-octaethyl-21H,23H-porphyrin-5-yl)-1,3-butadiynyl]-21H,23H-porphyrin-5-carbaldehyde

2,3,7,8,12,13,17,18-オクタエチル-15-[4-(2,3,7,8,12,13,17,18-オクタエチル-21H,23H-ポルフィリン-5-イル)-1,3-ブタジイニル]-21H,23H-ポルフィリン-5-カルボアルデヒド
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： C77H90N8O
Molecular formula furigana： C77-H90-N8-O
Molecular weight： 1143.622
InChI： InChI=1S/C77H90N8O/c1-17-43-45(19-3)64-38-66-47(21-5)53(27-11)72(80-66)59(73-54(28-12)48(22-6)67(81-73)39-65-46(20-4)44(18-2)63(79-65)37-62(43)78-64)35-33-34-36-60-74-55(29-13)49(23-7)68(82-74)40-70-51(25-9)57(31-15)76(84-70)61(42-86)77-58(32-16)52(26-10)71(85-77)41-69-50(24-8)56(30-14)75(60)83-69/h37-42,78,81-82,85H,17-32H2,1-16H3/b62-37-,63-37-,64-38-,65-39-,66-38-,67-39-,68-40-,69-41-,70-40-,71-41-,72-59-,73-59-,74-60-,75-60-,76-61-,77-61-
InChI key： PHIHFEQQGOGTOQ-JBYYUGMWSA-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#CC#C/C/1=c\2/[nH]/c(=C\C3=N/C(=C(\c4[nH]c(/C=C/5\N=C1C(=C5CC)CC)c(c4CC)CC)/C=O)/C(=C3CC)CC)/c(c2CC)CC
Systematic name  (3)：
  • 2,3,7,8,12,13,17,18-オクタエチル-15-[4-(2,3,7,8,12,13,17,18-オクタエチル-21H,23H-ポルフィリン-5-イル)-1,3-ブタジイニル]-21H,23H-ポルフィリン-5-カルボアルデヒド
  • 4,5,9,10,14,15,19,20-オクタエチル-12-(4-{4,5,9,10,14,15,19,20-オクタエチル-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-イル}ブタ-1,3-ジイン-1-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-カルバルデヒド
  • 4,5,9,10,14,15,19,20-octaethyl-12-(4-{4,5,9,10,14,15,19,20-octaethyl-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-undecaen-2-yl}buta-1,3-diyn-1-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-2-carbaldehyde
Other name (1)：
  • 2,3,7,8,12,13,17,18-Octaethyl-15-[4-(2,3,7,8,12,13,17,18-octaethyl-21H,23H-porphyrin-5-yl)-1,3-butadiynyl]-21H,23H-porphyrin-5-carbaldehyde
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