2,9,16,23-Tetra-Tert-Butyl-29H,31H-Phthalocyanine
[CAS# 35984-93-1]

Identification

• Name: 2,9,16,23-Tetra-Tert-Butyl-29H,31H-Phthalocyanine
• Molecular Formula: C₄₈H₄₈N₈
• Molecular Weight: 736.96
• CAS Registry Number: 35984-93-1
• SMILES: C1=C(C(C)(C)C)C=CC2=C1C3=NC2=NC8=NC(=NC6=NC(=NC4=NC(=N3)C5=CC=C(C(C)(C)C)C=C45)C7=CC=C(C(C)(C)C)C=C67)C9=CC=C(C(C)(C)C)C=C89
• InChI: 1S/C48H48N8/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
• InChIKey: LPIMSYGSPXXZEU-UHFFFAOYSA-N

Properties

• Density: 1.238g/cm³ (Cal.)