2,8-Bis(diphenylphosphoryl)dibenzo[b,d]furan

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Catalog Number
ACM911397278-2
Product Name
2,8-Bis(diphenylphosphoryl)dibenzo[b,d]furan
Structure
Structure
CAS
911397-27-8
Category
Thermally Activated Delayed Fluorescence (TADF) OLED
Synonyms
911397-27-8;Dibenzo[b,d]furan-2,8-diylbis(diphenylphosphineoxide);Phosphineoxide,1,1-(2,8-ibenzofurandiyl)is[1,1-iphenyl-;SCHEMBL9927366;2,8-Bis(diphenylphosphinyl)dibenzofuran;
IUPAC Name
2,8-bis(diphenylphosphoryl)dibenzofuran;
Molecular Weight
568.549
Molecular Formula
C36H26O3P2
Canonical SMILES
C1=CC=C(C=C1)P(=O)(C2=CC=CC=C2)C3=CC4=C(C=C3)OC5=C4C=C(C=C5)P(=O)(C6=CC=CC=C6)C7=CC=CC=C7;
InChI
InChI=1S/C36H26O3P2/c37-40(27-13-5-1-6-14-27,28-15-7-2-8-16-28)31-21-23-35-33(25-31)34-26-32(22-24-36(34)39-35)41(38,29-17-9-3-10-18-29)30-19-11-4-12-20-30/h1-26H;
InChI Key
AIAJGVRFXREWPK-UHFFFAOYSA-N;
Boiling Point
252 °C
Melting Point
805.2 ± 60.0 °C
Complexity
836
Covalently-Bonded Unit Count
1
Exact Mass
568.136g/mol
H-Bond Acceptor
3
Heavy Atom Count
41
Monoisotopic Mass
568.136g/mol
Rotatable Bond Count
6
Topological Polar Surface Area
47.3A^2
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