Zinc 2,11,20,29-tetra-tert-butyl-2,3-naphthalocyanine
TL;DR: Zinc 2,11,20,29-tetra-tert-butyl-2,3-naphthalocyanine (CAS 39049-43-9) is a chemical compound with molecular formula C64H56N8Zn and molecular weight 1000.39 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
zinc 8,21,34,47-tetratert-butyl-2,15,28,41,53,55-hexaza-54,56-diazanidatridecacyclo[40.10.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,52.045,50]hexapentaconta-1,3,5,7,9,11,13,15,17(26),18,20,22,24,27(55),28,30(39),31,33,35,37,40,42(53),43(52),44,46,48,50-heptacosaene
Also Known As: Dye content 90 %, Zinc 2,11,20,29-tetra-tert-butyl-2,3-naphthalocyanine, zinc tetra(tert-butylnaphtho)porphyrazine, (SP-4-1)-[2,11,20,29-Tetrakis(1,1-dimethylethyl)-37H,39H-tetranaphtho[2,3-b:2a(2),3a(2)-g:2a(2)a(2),3a(2)a(2)-l:2a(2)a(2)a(2),3a(2)a(2)a(2)-q]porphyrazinato(2-)-I masculineN37,I masculineN38,I masculineN39,I masculineN40]zinc, [1~6~,3~7~,5~7~,7~7~-Tetra-tert-butyl-2,4,6,8-tetraaza-1,3,5,7(1,3)-tetra(benzo[f]isoindola)cyclooctaphane-1,3,6,8-tetraene-1~2~,5~2~-diido-kappa~4~N~1^{2~},N~3^{2~},N~5^{2~},N~7^{2~}]zinc
| Molecular Formula | C64H56N8Zn |
|---|---|
| Molecular Weight | 1000.39 g/mol |
| LogP | 15.9277 |
| Topological Polar Surface Area | 105.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 1000.3919 |
| Heavy Atoms | 73 |
| Complexity | 4095.7822 |
Chemical Identifiers
| CAS Number | 39049-43-9 |
|---|---|
| SMILES | CC(C)(C)C1=CC2=CC3=C(C=C2C=C1)C4=NC5=NC(=NC6=C7C=C8C=C(C=CC8=CC7=C([N-]6)N=C9C1=C(C=C2C=CC(=CC2=C1)C(C)(C)C)C(=N9)N=C3[N-]4)C(C)(C)C)C1=C5C=C2C=C(C=CC2=C1)C(C)(C)C.[Zn+2] |
Product Overview
Zinc 2,11,20,29-tetra-tert-butyl-2,3-naphthalocyanine (CAS 39049-43-9), with molecular formula C64H56N8Zn and molecular weight 1000.39 g/mol. IUPAC: zinc 8,21,34,47-tetratert-butyl-2,15,28,41,53,55-hexaza-54,56-diazanidatridecacyclo[40.10.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,52.045,50]hexapentaconta-1,3,5,7,9,11,13,15,17(26),18,20,22,24,27(55),28,30(39),31,33,35,37,40,42(53),43(52),44,46,48,50-heptacosaene.
Chemical Property Profile of Zinc 2,11,20,29-tetra-tert-butyl-2,3-naphthalocyanine
Property Insights of Zinc 2,11,20,29-tetra-tert-butyl-2,3-naphthalocyanine
The XLogP value of 15.9277 indicates that Zinc 2,11,20,29-tetra-tert-butyl-2,3-naphthalocyanine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.54 Ų falls within the moderate polarity range, balancing permeability and solubility for Zinc 2,11,20,29-tetra-tert-butyl-2,3-naphthalocyanine. Following Lipinski's Rule of Five, Zinc 2,11,20,29-tetra-tert-butyl-2,3-naphthalocyanine has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Zinc 2,11,20,29-tetra-tert-butyl-2,3-naphthalocyanine?
The CAS number of Zinc 2,11,20,29-tetra-tert-butyl-2,3-naphthalocyanine is 39049-43-9.
What is the molecular formula of Zinc 2,11,20,29-tetra-tert-butyl-2,3-naphthalocyanine?
The molecular formula of Zinc 2,11,20,29-tetra-tert-butyl-2,3-naphthalocyanine is C64H56N8Zn.
What is the molecular weight of Zinc 2,11,20,29-tetra-tert-butyl-2,3-naphthalocyanine?
The molecular weight of Zinc 2,11,20,29-tetra-tert-butyl-2,3-naphthalocyanine is 1000.39 g/mol.
Where can I buy Zinc 2,11,20,29-tetra-tert-butyl-2,3-naphthalocyanine?
You can request a quote for Zinc 2,11,20,29-tetra-tert-butyl-2,3-naphthalocyanine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Zinc 2,11,20,29-tetra-tert-butyl-2,3-naphthalocyanine?
Yes, KEHONG BIO provides custom synthesis services for Zinc 2,11,20,29-tetra-tert-butyl-2,3-naphthalocyanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.