Zinc 1,4,8,11,15,18,22,25-octabutoxy-phthalocyanine

Name: Zinc 1,4,8,11,15,18,22,25-octabutoxy-phthalocyanine
SKU: ACM107227894
Rating: 5 (1 reviews)

CAS

107227-89-4

Catalog Number

ACM107227894

Category

Organic & Printed Electronics

Molecular Weight

1154.77

Molecular Formula

C₆₄H₈₀N₈O₈Zn

COA MSDS SDS Spec Sheet

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Specification

Synonyms

ZINC 1,4,8,11,15,18,22,25-OCTABUTOXY- PHTHALOCYANINE;zinc1,4,8,11,15,18,22,25-octa-n-butoxyphthalocyanine;zinc 1,4,8,11,15,18,22,25-octabutoxy-29H,31H-phthalocyanin

What is the molecular formula of zinc 1,4,8,11,15,18,22,25-octabutoxy-phthalocyanine?

The molecular formula is C64H80N8O8Zn.

What are the synonyms for zinc 1,4,8,11,15,18,22,25-octabutoxy-phthalocyanine?

The synonyms are Zinc 1,4,8,11,15,18,22,25-octabutoxy-29H,31H-phthalocyanine and Zinc 1,4,8,11,15,18,22,25-octabutoxy-phthalocyanine.

What is the molecular weight of zinc 1,4,8,11,15,18,22,25-octabutoxy-phthalocyanine?

The molecular weight is 1154.7 g/mol.

When was zinc 1,4,8,11,15,18,22,25-octabutoxy-phthalocyanine created?

It was created on September 16, 2005.

What is the IUPAC name of zinc 1,4,8,11,15,18,22,25-octabutoxy-phthalocyanine?

The IUPAC name is zinc;5,8,14,17,23,26,32,35-octabutoxy-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.1 3,10 .1 12,19 .1 21,28 .0 4,9 .0 13,18 .0 22,27 .0 31,36 ]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene.

What is the InChI of zinc 1,4,8,11,15,18,22,25-octabutoxy-phthalocyanine?

The InChI is InChI=1S/C64H80N8O8.Zn/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;/q-2;+2.

What is the Canonical SMILES of zinc 1,4,8,11,15,18,22,25-octabutoxy-phthalocyanine?

The Canonical SMILES is CCCCOC1=C2C(=C(C=C1)OCCCC)C3=NC4=NC(=NC5=C6C(=CC=C(C6=C([N-]5)N=C7C8=C(C=CC(=C8C(=N7)N=C2[N-]3)OCCCC)OCCCC)OCCCC)OCCCC)C9=C(C=CC(=C94)OCCCC)OCCCC.[Zn+2].

What are the computed properties of zinc 1,4,8,11,15,18,22,25-octabutoxy-phthalocyanine?

Molecular Weight: 1154.7 g/mol
Hydrogen Bond Donor Count: 0
Hydrogen Bond Acceptor Count: 12
Rotatable Bond Count: 32
Exact Mass: 1152.539053 g/mol
Monoisotopic Mass: 1152.539053 g/mol
Topological Polar Surface Area: 150Å²
Heavy Atom Count: 81
Formal Charge: 0
Complexity: 1830
Isotope Atom Count: 0
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Covalently-Bonded Unit Count: 2
Compound Is Canonicalized: Yes

What is the reference for the computed properties?

The reference is Computed by PubChem.

What is the PubChem CID for zinc 1,4,8,11,15,18,22,25-octabutoxy-phthalocyanine?

The PubChem CID is 4612705.

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