Naphthalocyanine

CAS Registry Number®

23627-89-6
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CAS Name

Naphthalocyanine

Molecular Formula

C48H26N8

Molecular Mass

714.77

Cite this Page

Naphthalocyanine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=23627-89-6 (retrieved 2024-04-25) (CAS RN: 23627-89-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

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)

InChIKey

InChIKey=LKKPNUDVOYAOBB-UHFFFAOYSA-N

SMILES

C=12C(=C3NC1NC=4C=5C(C(N4)=NC=6C=7C(C(=NC8=NC(=N3)C=9C8=CC=%10C(C9)=CC=CC%10)N6)=CC=%11C(C7)=CC=CC%11)=CC=%12C(C5)=CC=CC%12)C=C%13C(=C2)C=CC=C%13

Canonical SMILES

N1=C2N=C(N=C3N=C(NC=4NC(N=C5N=C1C=6C=C7C=CC=CC7=CC56)=C8C=C9C=CC=CC9=CC84)C=%10C=C%11C=CC=CC%11=CC3%10)C=%12C=C%13C=CC=CC%13=CC2%12

Other Names for this Substance

  • 37H,39H-Tetranaphtho[2,3-b:2′,3′-g:2′′,3′′-l:2′′′,3′′′-q]porphyrazine
  • Tetranaphtho[2,3-b:2′,3′-g:2′′,3′′-l:2′′′,3′′′-q]porphyrazine
  • 6,35:17,24-Diimino-8,15:33,26-dinitrilotetranaphtho[2,3-c:2′,3′-h:2′′,3′′-m:2′′′,3′′′-r][1,6,11,16]tetraazacycloeicosine
  • 2,3-Naphthalocyanine
  • Naphthalocyanine

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Deleted or Replaced CAS Registry Numbers

73758-79-9

CAS INSIGHTSTM
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