942069-87-6
2-(3,5-BIS(PHENYLETHYNYL)PHENYL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE
Name2-(3,5-BIS(PHENYLETHYNYL)PHENYL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE
1Identification
【Name】
2-(3,5-BIS(PHENYLETHYNYL)PHENYL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE
【CAS】
【MDL】
MFCD12405393
【English Synonyms】
【Formula】
C28 H25 B O2
【MolWeight】
404.315
【Inchi】
InChI=1S/C28H25BO2/c1-27(2)28(3,4)31-29(30-27)26-20-24(17-15-22-11-7-5-8-12-22)19-25(21-26)18-16-23-13-9-6-10-14-23/h5-14,19-21H,1-4H3
【InChIKey】
InChIKey=NWMHLCDMHXVIQZ-UHFFFAOYSA-N
【SMILES】
B1(OC(C(O1)(C)C)(C)C)c2cc(cc(c2)C#Cc3ccccc3)C#Cc4ccccc4
【MOL File】
2-(3,5-BIS(PHENYLETH….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:2
XLogP3:6.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-(3,5-BIS(PHENYLETHYNYL)PHENYL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE.cml