Aluminum(III) phthalocyanine

CAS Registry Number®

47822-79-7
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CAS Name

Aluminum(III) phthalocyanine

Molecular Formula

C32H16AlN8

Cite this Page

Aluminum(III) phthalocyanine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=47822-79-7 (retrieved 2024-06-16) (CAS RN: 47822-79-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C32H16N8.Al/c1-2-10-18-17(9-1)25-33-26(18)38-28-21-13-5-6-14-22(21)30(35-28)40-32-24-16-8-7-15-23(24)31(36-32)39-29-20-12-4-3-11-19(20)27(34-29)37-25;/h1-16H;/q-2;+3

InChIKey

InChIKey=HUVXQFBFIFIDDU-UHFFFAOYSA-N

SMILES

[Al+3]123[N-]4C=5C=6C(C4=NC7=[N]1C(=NC=8[N-]2C(=C9C8C=CC=C9)N=C%10[N]3=C(N5)C=%11C%10=CC=CC%11)C=%12C7=CC=CC%12)=CC=CC6

Canonical SMILES

N=1C=2C=3C=CC=CC3C4=NC5=C6C=CC=CC6=C7N=C8C=9C=CC=CC9C=%10N=C%11C=%12C=CC=CC%12C1[N-]%11[Al+3]([N]24)([N]%108)[N-]57

Other Names for this Substance

  • Aluminum(1+), [29H,31H-phthalocyaninato(2-)-κN29,κN30,κN31,κN32]-, (SP-4-1)-
  • Aluminum(1+), [29H,31H-phthalocyaninato(2-)-N29,N30,N31,N32]-, (SP-4-1)-
  • 29H,31H-Phthalocyanine, aluminum complex
  • (SP-4-1)-[29H,31H-Phthalocyaninato(2-)-κN29,κN30,κN31,κN32]aluminum(1+)
  • Aluminum(III) phthalocyanine

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