29H,31H-Phthalocyanine, aluminum complex

81422-13-1

CAS Name

Bis[29H,31H-phthalocyaninato(2-)-κN²⁹,κN³⁰,κN³¹,κN³²][μ-[1,1,3,3-tetraphenyl-1,3-disiloxanediolato(2-)-κO¹:κO³]]dialuminum

Molecular Formula

C₈₈H₅₂Al₂N₁₆O₃Si₂

Molecular Mass

1491.60

Other Names and Identifiers

InChI

InChI=1S/2C32H16N8.C24H20O3Si2.2Al/c2*1-2-10-18-17(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;25-28(21-13-5-1-6-14-21,22-15-7-2-8-16-22)27-29(26,23-17-9-3-10-18-23)24-19-11-4-12-20-24;;/h2*1-16H;1-20H;;/q3*-2;2*+3

InChIKey

InChIKey=SOXUFWWDYNOJTR-UHFFFAOYSA-N

SMILES

[O-]([Si](O[Si]([O-][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)(C%13=CC=CC=C%13)C%14=CC=CC=C%14)(C%15=CC=CC=C%15)C%16=CC=CC=C%16)[Al+3]%17%18%19[N]=%20C=%21C=%22C(C%20N=C%23[N-]%17C(C=%24C%23=CC=CC%24)=NC%25=[N]%18C(=NC=%26[N-]%19C(N%21)=C%27C%26C=CC=C%27)C=%28C%25=CC=CC%28)=CC=CC%22

Canonical SMILES

N1=C2C=3C=CC=CC3C=4N=C5C=6C=CC=CC6C7=NC=8C9=CC=CC=C9C%10=NC%11=C%12C=CC=CC%12=C1[N-]%11[Al+3]([O-][Si](O[Si]([O-][Al+3]%13%14%15[N]=%16C%17=NC%18=C%19C=CC=CC%19=C(N=C%20C%21=CC=CC=C%21C(N=C%22C=%23C=CC=CC%23C(=NC%16C=%24C=CC=CC%17%24)[N-]%22%13)=[N]%20%14)[N-]%18%15)(C=%25C=CC=CC%25)C=%26C=CC=CC%26)(C=%27C=CC=CC%27)C=%28C=CC=CC%28)([N]24)([N]%108)[N-]57

Other Names for this Substance