TL;DR: (2,9,16,23-tetrachloro-29H,31H-phthalocyaninato(2-)-N29,N30,N31,N32)copper (CAS 16040-69-0) is a chemical compound with molecular formula C32H12Cl4CuN8 and molecular weight 710.9235 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
copper 6,15,24,33-tetrachloro-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[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(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene
Also Known As: Copper, (2,9,16,23-tetrachlorophthalocyaninato(2-)), EC 240-183-6, Copper,(2,9,16,23-tetrachlorophthalocyaninato(2-)), Copper, [2,9,16,23-tetrachlorophthalocyaninato(2-)]-, (2,9,16,23-Tetrachloro-29H,31H-phthalocyaninato(2-)-N29,N30,N31,N32)copper
| Molecular Formula | C32H12Cl4CuN8 |
| Molecular Weight | 710.9235 g/mol |
| XLogP | 8.74 |
| Topological Polar Surface Area (TPSA) | 76.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 712.92053 Da |
| Heavy Atoms | 45 |
| Complexity | 1320.0 |
| SMILES | C1=CC2=C(C=C1Cl)C3=NC4=NC(=NC5=C6C=CC(=CC6=C([N-]5)N=C7C8=C(C=C(C=C8)Cl)C(=N7)N=C2[N-]3)Cl)C9=C4C=CC(=C9)Cl.[Cu+2] |
| InChIKey | BYBLFAOJNIFPEB-UHFFFAOYSA-N |
The XLogP value of 8.74 indicates that (2,9,16,23-tetrachloro-29H,31H-phthalocyaninato(2-)-N29,N30,N31,N32)copper is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.2 Ų falls within the moderate polarity range, balancing permeability and solubility for (2,9,16,23-tetrachloro-29H,31H-phthalocyaninato(2-)-N29,N30,N31,N32)copper. Following Lipinski's Rule of Five, (2,9,16,23-tetrachloro-29H,31H-phthalocyaninato(2-)-N29,N30,N31,N32)copper has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of (2,9,16,23-tetrachloro-29H,31H-phthalocyaninato(2-)-N29,N30,N31,N32)copper is 16040-69-0.
The molecular formula of (2,9,16,23-tetrachloro-29H,31H-phthalocyaninato(2-)-N29,N30,N31,N32)copper is C32H12Cl4CuN8.
The molecular weight of (2,9,16,23-tetrachloro-29H,31H-phthalocyaninato(2-)-N29,N30,N31,N32)copper is 710.9235 g/mol.
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