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1,1,4,4-Tetraphenyl-1,3-butadiene-[d22]

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General Information
Catalog: BLP-005549
CAS: 1173023-81-8
Molecular Formula: C28D22
Molecular Weight: 380.61

Chemical Structure

Description	1,1,4,4-Tetraphenyl-1,3-butadiene-[d22] is the D labelled analogue of 1,1,4,4-Tetraphenyl-1,3-butadiene. 1,1,4,4-Tetraphenyl-1,3-butadiene can be used as an electroluminescent dye. It glows blue with an emission spectrum peak wavelength at 430 nm, which makes it useful as a wavelength shifter.
IUPAC Name	1,2,3,4,5-pentadeuterio-6-[2,3-dideuterio-1,4,4-tris(2,3,4,5,6-pentadeuteriophenyl)buta-1,3-dienyl]benzene
Related CAS	1450-63-1 (unlabelled)
Isomeric SMILES	[2H]C1=C(C(=C(C(=C1[2H])[2H])C(=C([2H])C(=C(C2=C(C(=C(C(=C2[2H])[2H])[2H])[2H])[2H])C3=C(C(=C(C(=C3[2H])[2H])[2H])[2H])[2H])[2H])C4=C(C(=C(C(=C4[2H])[2H])[2H])[2H])[2H])[2H])[2H]
Canonical SMILES	C1=CC=C(C=C1)C(=CC=C(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4
InChI	InChI=1S/C28H22/c1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-22H/i1D,2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,15D,16D,17D,18D,19D,20D,21D,22D
InChI Key	KLCLIOISYBHYDZ-SMJVRUDNSA-N
Melting Point	207-209°C
Purity	99% by CP; 98% atom D
Appearance	Solid