Chem
J-GLOBAL ID：200907088845422111
Nikkaji number：J1.734.053K
21,28,71,78,121,128,171,178-Octahydro-24,25-(1,3-butadiene-1,4-diyl)-74,75-(1,3-butadiene-1,4-diyl)-124,125-(1,3-butadiene-1,4-diyl)-174,175-(1,3-butadiene-1,4-diyl)-21,28-(1,2-ethanediyl)-71,78-(1,2-ethanediyl)-121,128-(1,2-ethanediyl)-171,178-(1,2-ethanediyl)-21H,23H-tetranaphtho[2,3-b:2′,3′-g:2′′,3′′-l:2′′′,3′′′-q]porphyrin
21,28,71,78,121,128,171,178-オクタヒドロ-24,25-(1,3-ブタジエン-1,4-ジイル)-74,75-(1,3-ブタジエン-1,4-ジイル)-124,125-(1,3-ブタジエン-1,4-ジイル)-174,175-(1,3-ブタジエン-1,4-ジイル)-21,28-(1,2-エタンジイル)-71,78-(1,2-エタンジイル)-121,128-(1,2-エタンジイル)-171,178-(1,2-エタンジイル)-21H,23H-テトラナフト[2,3-b:2′,3′-g:2′′,3′′-l:2′′′,3′′′-q]ポルフィリン
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
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
Molecular formula： C76H54N4
Molecular formula furigana： C76-H54-N4
Molecular weight： 1023.296
InChI：
InChI=1S/C76H54N4/c1-2-10-38-26-54-46-18-17-45(53(54)25-37(38)9-1)69-61-33-63-71-47-19-20-49(57-29-41-13-4-3-11-39(41)27-55(47)57)73(71)65(78-63)35-67-75-51-23-24-52(60-32-44-16-8-7-15-43(44)31-59(51)60)76(75)68(80-67)36-66-74-50-22-21-48(72(74)64(79-66)34-62(77-61)70(46)69)56-28-40-12-5-6-14-42(40)30-58(50)56/h1-16,25-36,45-52,77,80H,17-24H2/b61-33-,62-34-,63-33-,64-34-,65-35-,66-36-,67-35-,68-36-
InChI key：
NQVWTEACQWNRNB-SHDMDGCLSA-N
SMILES：
C1CC2C3=C(C1c1cc4ccccc4cc21)C1=N/C/3=C\c2[nH]c(/C=C/3\N=C(/C=c/4\[nH]/c(=C\1)/c1c4C4CCC1c1cc5ccccc5cc41)C1=C3C3CCC1c1cc4ccccc4cc31)c1c2C2CCC1c1cc3ccccc3cc21
Systematic name (1)：
- 21,28,71,78,121,128,171,178-オクタヒドロ-24,25-(1,3-ブタジエン-1,4-ジイル)-74,75-(1,3-ブタジエン-1,4-ジイル)-124,125-(1,3-ブタジエン-1,4-ジイル)-174,175-(1,3-ブタジエン-1,4-ジイル)-21,28-(1,2-エタンジイル)-71,78-(1,2-エタンジイル)-121,128-(1,2-エタンジイル)-171,178-(1,2-エタンジイル)-21H,23H-テトラナフト[2,3-b:2′,3′-g:2′′,3′′-l:2′′′,3′′′-q]ポルフィリン
- 21,28,71,78,121,128,171,178-Octahydro-24,25-(1,3-butadiene-1,4-diyl)-74,75-(1,3-butadiene-1,4-diyl)-124,125-(1,3-butadiene-1,4-diyl)-174,175-(1,3-butadiene-1,4-diyl)-21,28-(1,2-ethanediyl)-71,78-(1,2-ethanediyl)-121,128-(1,2-ethanediyl)-171,178-(1,2-ethanediyl)-21H,23H-tetranaphtho[2,3-b:2′,3′-g:2′′,3′′-l:2′′′,3′′′-q]porphyrin
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