Home Other Building Blocks 1,4,8,11,15,18,22,25-OCTABUTOXY- PHTHALOCYANINE

1,4,8,11,15,18,22,25-OCTABUTOXY- PHTHALOCYANINE

CAS No.:
116453-73-7
Catalog Number:
AG008XC4
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG008XC4
Chemical Name:
1,4,8,11,15,18,22,25-OCTABUTOXY- PHTHALOCYANINE
CAS Number:
116453-73-7
MDL Number:
MFCD00134589
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
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
Properties
Complexity:
1500  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
1090.626g/mol
Formal Charge:
0
Heavy Atom Count:
80  
Hydrogen Bond Acceptor Count:
14  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
1091.408g/mol
Monoisotopic Mass:
1090.626g/mol
Rotatable Bond Count:
32  
Topological Polar Surface Area:
183A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
16.1  
Properties