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Diphenyleneiodonium (free base)

CAT: 0931-T69630-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T69630-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
244-54-2
Target
Others
Related Pathways
Others
Bioactivity
Diphenyleneiodonium (free base) is an NADPH oxidase inhibitor.
Smiles
C1=2C=3C([I+]C1=CC=CC2)=CC=CC3
Molecular Formula
C12H8I
Molecular Weight
279.1
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Diphenyleneiodonium

Dibenziodolium is an organic cation that is fluorene in which the methylene group is replaced by a positively charged iodine.

CAS Number244-54-2
PubChem CID3101
IUPAC Name8-iodoniatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene
Molecular FormulaC12H8I+
Molecular Weight279.10
XLogP4.1
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Heavy Atom Count13
Formal Charge1
Complexity170
SMILES
C1=CC=C2C(=C1)C3=CC=CC=C3[I+]2
InChI
InChI=1S/C12H8I/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8H/q+1
InChIKey
QFXKXRXFBRLLPQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Diphenyleneiodonium
CAS: 244-54-2
CID: 3101
Formula: C12H8I+
MW: 279.10
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight279.10
XLogP34.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Exact Mass278.96707
Monoisotopic Mass278.96707
Topological Polar Surface Area0 Ų
Heavy Atom Count13
Formal Charge1
Complexity170
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes