1,4,8,11,15,18,22,25-Octabutoxy-phthalocyanine

• CAS: 116453-73-7
• Catalog Number: ACM116453737
• Category: Organic & Printed Electronics
• Molecular Weight: 1091.4g/mol
• Molecular Formula: C64H82N8O8
• Synonyms: 1,4,8,11,15,18,22,25-OCTABUTOXY- PHTHALOCYANINE;1 4 8 11 15 18 22 25-OCTABUTOXY-29H 31H&;1,4,8,11,15,18,22,25-octa-n-butoxyphthalocyanine;1,4,8,11,15,18,22,25-Octabutoxy-29H,31H-phthalocyanine;1,4,8,11,15,18,22,25-Octabutoxy-29H,31H-phthalocyanine Dye con
• IUPAC Name: 5,8,14,17,23,26,32,35-octabutoxy-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene
• Canonical SMILES: CCCCOC1=C2C(=C(C=C1)OCCCC)C3=NC4=NC(=NC5=C6C(=CC=C(C6=C(N5)N=C7C8=C(C=CC(=C8C(=N7)N=C2N3)OCCCC)OCCCC)OCCCC)OCCCC)C9=C(C=CC(=C94)OCCCC)OCCCC
• InChI: InChI=1S/C64H82N8O8/c1-9-17-33-73-41-25-26-42(74-34-18-10-2)50-49(41)57-65-58(50)70-60-53-45(77-37-21-13-5)29-30-46(78-38-22-14-6)54(53)62(67-60)72-64-56-48(80-40-24-16-8)32-31-47(79-39-23-15-7)55(56)63(68-64)71-61-52-44(76-36-20-12-4)28-27-43(75-35-19-11-3)51(52)59(66-61)69-57/h25-32H,9-24,33-40H2,1-8H3,(H2,65,66,67,68,69,70,71,72)
• InChI Key: KAPOSTKECKHKAP-UHFFFAOYSA-N
• Complexity: 1500
• Covalently-Bonded Unit Count: 1
• Exact Mass: 1090.625562g/mol
• Formal Charge: 0
• H-Bond Acceptor: 14
• H-Bond Donor: 2
• Heavy Atom Count: 80
• Monoisotopic Mass: 1090.625562g/mol
• Rotatable Bond Count: 32
• XLogP3: 16.1