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Chemical structure of 1,3-Diphenylisobenzofuran

GC61705

1,3-Diphenylisobenzofuran

Also known as 1,3-diphenyl-2-benzofuran

1,3-Diphenylisobenzofuran (DPBF) is a fluorescent probe which possesses a highly specific reactivity towards singlet oxygen (1O2) forming an endoperoxide which decomposes to give 1,2-dibenzoylbenzene

ChemicalCAS5471-63-6MW270.33FormulaC20H14O
CAS number
5471-63-6
Molecular weight
270.33
Formula
C20H14O
Solubility
DMSO： 5·56 mg/mL (20·57 mM); Water： ＜ 0·1 mg/mL (ultrasonic) (insoluble)
InChIKey
ZKSVYBRJSMBDMV-UHFFFAOYSA-N
Catalogue number
GC61705
Brand
GLPBIO
Computed properties PubChem CID 21649 · XLogP 5.6 · TPSA 13.1 Ų · H-bond donors 0
XLogP
5.6
TPSA
13.1 Ų
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
2
Heavy atoms
21

SMILES C1=CC=C(C=C1)C2=C3C=CC=CC3=C(O2)C4=CC=CC=C4

Computed descriptors from PubChem (CID 21649), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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