COPPER(II) TETRAKIS(4-CUMYLPHENOXY)PHTHALOCYANINE

91083-47-5

MFCD00216602

C92H72CuN8O4

1417.18

InChI=1S/C92H72N8O4.Cu/c1-89(2,57-21-13-9-14-22-57)61-29-37-65(38-30-61)101-69-45-49-73-77(53-69)85-94-81(73)93-82-74-50-46-71(103-67-41-33-63(34-42-67)91(5,6)59-25-17-11-18-26-59)55-79(74)87(95-82)100-88-80-56-72(104-68-43-35-64(36-44-68)92(7,8)60-27-19-12-20-28-60)48-52-76(80)84(99-88)98-86-78-54-70(47-51-75(78)83(96-85)97-86)102-66-39-31-62(32-40-66)90(3,4)58-23-15-10-16-24-58;/h9-56H,1-8H3;/q-2;+2

InChIKey=JVXVTQNONDAKKT-UHFFFAOYSA-N

CC(C)(C1=CC=CC=C1)C1=CC=C(OC2=CC3=C(C=C2)C2=N\C\3=N/C3=C4C=CC(OC5=CC=C(C=C5)C(C)(C)C5=CC=CC=C5)=CC4=C4\N=C5/N=C(/N=C6\N([Cu]N34)/C(=N\2)C2=C6C=CC(OC3=CC=C(C=C3)C(C)(C)C3=CC=CC=C3)=C2)C2=C5C=C(OC3=CC=C(C=C3)C(C)(C)C3=CC=CC=C3)C=C2)C=C1

H bond donor:0

H bond acceptor:12

XLogP3:0.0

Bulk/Fine:F