CAS 151416-94-3|CAS 221006-76-4|cis-1,2-Bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)stilbene|2-[1,2-diphenyl-2-(tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborola...

General Information

Structure

Molecular Formula

C₂₆H₃₄B₂O₄

Molecular Mass

432.16776

Exact Mass

432.26432037

Charge

InChI

InChI=1S/C26H34B2O4/c1-23(2)24(3,4)30-27(29-23)21(19-15-11-9-12-16-19)22(20-17-13-10-14-18-20)28-31-25(5,6)26(7,8)32-28/h9-18H,1-8H3

InChIKey

YFLBNMYBKXYNJN-UHFFFAOYSA-N

Canonic Smiles

CC1(C)OB(OC1(C)C)/C(=C(\c1ccccc1)/B1OC(C(O1)(C)C)(C)C)/c1ccccc1

Isomeric Smiles

B1(OC(C)(C)C(O1)(C)C)/C(=C(/B1OC(C)(C)C(O1)(C)C)\c1ccccc1)/c1ccccc1

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

6.4698

LogD (pH = 7.4)

6.4698

Log P

6.4698

Molar Refractivity

120.6458

Polarizability

50.924618

Polar Surface Area

36.92

Rotatable Bonds

Lipinski's Rule of Five

false

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

Synonyms

cis-1,2-Bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)stilbene(E)-1,2-二苯乙烯-1,2-双(2,3-二甲基-2,3-丁二醇)二硼酸酯cis-1,2-Bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl) stilbene(Z)-1,2-Diphenyl-1,2-ethylenediboronic acid bis(pinacol) ester顺式-1,2-二(4,4,5,5-四甲基-1,3,2-二氧硼戊环-2-基)二苯乙烯

IUPAC name

2-[1,2-diphenyl-2-(tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

IUPAC Traditional name

2-[1,2-diphenyl-2-(tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Names and Identifiers

Registration numbers

MDL Number

MFCD03453050

CAS Number

151416-94-3221006-76-4

PubChem SID

24874629162039753