Copper tetra-4-tert-butylphthalocyanine

CAS Registry Number®

39001-64-4

CAS Name

Copper tetra-4-tert-butylphthalocyanine

Molecular Formula

C48H48CuN8

Cite this Page

Copper tetra-4-tert-butylphthalocyanine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=39001-64-4 (retrieved 2024-11-26) (CAS RN: 39001-64-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C48H48N8.Cu/c1-45(2,3)25-13-17-29-33(21-25)41-49-37(29)54-42-35-23-27(47(7,8)9)15-19-31(35)39(51-42)56-44-36-24-28(48(10,11)12)16-20-32(36)40(52-44)55-43-34-22-26(46(4,5)6)14-18-30(34)38(50-43)53-41;/h13-24H,1-12H3;/q-2;+2

InChIKey

InChIKey=IDACJLJAKMQWEW-UHFFFAOYSA-N

SMILES

C(C)(C)(C)C=1C=C2C=3[N-]4[Cu+2]56[N-]7C(=C8C(=C7N=C9[N]5=C(N3)C=%10C9=CC(C(C)(C)C)=CC%10)C=CC(C(C)(C)C)=C8)N=C%11[N]6=C(N=C4C2=CC1)C=%12C%11=CC=C(C(C)(C)C)C%12

Canonical SMILES

N1=C2C=3C=CC(=CC3C=4N=C5C=6C=CC(=CC6C7=NC=8C9=CC=C(C=C9C%10=NC%11=C%12C=CC(=CC%12=C1[N-]%11[Cu+2]([N]24)([N]8%10)[N-]57)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C

Other Names for this Substance

  • Copper, [2,9,16,23-tetrakis(1,1-dimethylethyl)-29H,31H-phthalocyaninato(2-)-κN29,κN30,κN31,κN32]-, (SP-4-1)-
  • Copper, [2,9,16,23-tetrakis(1,1-dimethylethyl)-29H,31H-phthalocyaninato(2-)-N29,N30,N31,N32]-, (SP-4-1)-
  • 29H,31H-Phthalocyanine, 2,9,16,23-tetrakis(1,1-dimethylethyl)-, copper complex
  • 29H,31H-Phthalocyanine, copper deriv.
  • (SP-4-1)-[2,9,16,23-Tetrakis(1,1-dimethylethyl)-29H,31H-phthalocyaninato(2-)-κN29,κN30,κN31,κN32]copper

View All

Deleted or Replaced CAS Registry Numbers

28901-90-8, 72805-30-2

CAS INSIGHTSTM
Hourglass and a clock