Chem
J-GLOBAL ID：200907088772542636   Nikkaji number：J816.844J

Naphthalocyanine

ナフタロシアニン
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： C48H26N8
Molecular formula furigana： C48-H26-N8
Molecular weight： 714.792
InChI： InChI=1S/C48H26N8/c1-2-10-26-18-34-33(17-25(26)9-1)41-49-42(34)54-44-37-21-29-13-5-6-14-30(29)22-38(37)46(51-44)56-48-40-24-32-16-8-7-15-31(32)23-39(40)47(52-48)55-45-36-20-28-12-4-3-11-27(28)19-35(36)43(50-45)53-41/h1-24H,(H2,49,50,51,52,53,54,55,56)
InChI key： LKKPNUDVOYAOBB-UHFFFAOYSA-N
SMILES： c1ccc2cc3/C/4=N/c5[nH]c(/N=C/6\N=C(/N=c/7\[nH]/c(=N\C(=N4)c3cc2c1)/c1c7cc2ccccc2c1)c1c6cc2ccccc2c1)c1c5cc2ccccc2c1
Systematic name  (5)：
  • 5,10,15,20-テトラアザ-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
  • 22,23-(1,3-ブタジエン-1,4-ジイル)-72,73-(1,3-ブタジエン-1,4-ジイル)-122,123-(1,3-ブタジエン-1,4-ジイル)-172,173-(1,3-ブタジエン-1,4-ジイル)-5,10,15,20-テトラアザ-21H,23H-テトラベンゾ[b,g,l,q]ポルフィリン
  • 22,23-(1,3-ブタジエン-1,4-ジイル)-72,73-(1,3-ブタジエン-1,4-ジイル)-122,123-(1,3-ブタジエン-1,4-ジイル)-172,173-(1,3-ブタジエン-1,4-ジイル)フタロシアニン
  • 2,15,28,41,53,54,55,56-オクタアザトリデカシクロ[40.10.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,52.045,50]ヘキサペンタコンタ-1,3,5,7,9,11,13,15,17,19,21,23,25,27(55),28,30,32,34,36,38,40,42(53),43,45,47,49,51-ヘプタコサエン
  • 2,15,28,41,53,54,55,56-octaazatridecacyclo[40.10.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,52.045,50]hexapentaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27(55),28,30,32,34,36,38,40,42(53),43,45,47,49,51-heptacosaene
Other name (11)：
  • ナフタロシアニン
  • 5,10,15,20-Tetraaza-21H,23H-tetranaphtho[2,3-b:2′,3′-g:2′′,3′′-l:2′′′,3′′′-q]porphyrin
  • Naphthalocyanine
  • 22,23-(1,3-Butadiene-1,4-diyl)-72,73-(1,3-butadiene-1,4-diyl)-122,123-(1,3-butadiene-1,4-diyl)-172,173-(1,3-butadiene-1,4-diyl)phthalocyanine
  • 21H,23H-Tetranaphtho[2,3-b:2′,3′-g:2′′,3′′-l:2′′′,3′′′-q]porphyrazine
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CAS registry number： 23627-89-6
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