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2-[(Z)-1,2-diphenyl-2-(tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
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ChemBase ID:
295013
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Molecular Formular:
C26H34B2O4
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Molecular Mass:
432.16776
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Monoisotopic Mass:
432.26432037
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SMILES and InChIs
SMILES:
B1(OC(C(O1)(C)C)(C)C)/C(=C(\B1OC(C(O1)(C)C)(C)C)/c1ccccc1)/c1ccccc1
Canonical SMILES:
CC1(C)OB(OC1(C)C)/C(=C(/c1ccccc1)\B1OC(C(O1)(C)C)(C)C)/c1ccccc1
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/b22-21-
InChIKey:
YFLBNMYBKXYNJN-DQRAZIAOSA-N
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Cite this record
CBID:295013 http://www.chembase.cn/molecule-295013.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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2-[(Z)-1,2-diphenyl-2-(tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
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IUPAC Traditional name
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2-[(Z)-1,2-diphenyl-2-(tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
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Synonyms
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cis-1,2-Bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)stilbene
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(Z)-Stilbenediboronic acid bis(pinacol) ester
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(Z)-均二苯代乙烯二硼酸双(频那醇)酯
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CAS Number
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MDL Number
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Beilstein Number
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PubChem SID
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PubChem CID
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DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
H Acceptors
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4
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H Donor
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0
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LogD (pH = 5.5)
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6.4698
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LogD (pH = 7.4)
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6.4698
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Log P
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6.4698
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Molar Refractivity
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120.6458 cm3
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Polarizability
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50.924618 Å3
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Polar Surface Area
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36.92 Å2
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Rotatable Bonds
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4
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Lipinski's Rule of Five
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false
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PATENTS
PATENTS
PubChem Patent
Google Patent