2,3,7,8,12,13,17,18-Octaethyl-21H,23H-porphine nickel(II)

Product Information

Molecular Formula:
C36H44N4Ni
Molecular Weight:
591.45
Description
2,3,7,8,12,13,17,18-Octaethyl-21H,23H-porphine nickel(II) is a nickel complex specifically used in biomedical research, often for photodynamic therapy. Its unique ability to generate singlet oxygen upon photoexcitation facilitates cancer cell therapy research.
Synonyms
2,3,7,8,12,13,17,18-Octaethyl-21H,23H-porphine nickel(II); nickel(2+); 2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide; nickel(II) 2-3-7-8-12-13-17-18-(octaethyl)porphyrin; 2,3,7,8,12,13,17,18-Octaethyl-21H,23H-porphinenickel(II); 2,3,7,8,12,13,17,18-Octaethyl-21H,23H-porphine nickel(II), 97%
IUPAC Name
nickel(2+)2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide
Canonical SMILES
CCC1=C(C2=CC3=NC(=CC4=C(C(=C([N-]4)C=C5C(=C(C(=N5)C=C1[N-]2)CC)CC)CC)CC)C(=C3CC)CC)CC.[Ni+2]
InChI
InChI=1S/C36H44N4.Ni/c1-9-21-22(10-2)30-18-32-25(13-5)26(14-6)34(39-32)20-36-28(16-8)27(15-7)35(40-36)19-33-24(12-4)23(11-3)31(38-33)17-29(21)37-30/h17-20H,9-16H2,1-8H3/q-2+2
InChI Key
DIGQQRGHPATISA-UHFFFAOYSA-N
Flash Point
Not applicable
Purity
97%

Safety Information

Hazards
H302 + H312 + H332
Precautionary Statement
P280 - P301 + P312 + P330 - P302 + P352 + P312 - P304 + P340 + P312

Computed Properties

Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
8
Exact Mass
590.291939 g/mol
Monoisotopic Mass
590.291939 g/mol
Topological Polar Surface Area
26.7Ų
Heavy Atom Count
41
Formal Charge
0
Complexity
1150
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
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

Related Products

Online Inquiry
  • Verification code
USA
  • International:
  • US & Canada (Toll free):
  • Email:
  • Fax:
UK
  • Email:
Copyright © 2025 BOC Sciences. All rights reserved.
Top
0
Inquiry Basket

We use cookies to understand how you use our site and to improve the overall user experience. This includes personalizing content and advertising. Read our Privacy Policy

Accept Cookies
x