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1126522-69-7 molecular structure
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9-phenyl-3-(tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-carbazole

ChemBase ID: 798700
Molecular Formular: C24H24BNO2
Molecular Mass: 369.26386
Monoisotopic Mass: 369.19000941
SMILES and InChIs

SMILES:
CC1(C)OB(OC1(C)C)c1ccc2n(c3c(cccc3)c2c1)c1ccccc1
Canonical SMILES:
CC1(C)OB(OC1(C)C)c1ccc2c(c1)c1ccccc1n2c1ccccc1
InChI:
InChI=1S/C24H24BNO2/c1-23(2)24(3,4)28-25(27-23)17-14-15-22-20(16-17)19-12-8-9-13-21(19)26(22)18-10-6-5-7-11-18/h5-16H,1-4H3
InChIKey:
UBASCOPZFCGGAV-UHFFFAOYSA-N

Cite this record

CBID:798700 http://www.chembase.cn/molecule-798700.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
9-phenyl-3-(tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-carbazole
IUPAC Traditional name
9-phenyl-3-(tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole
Synonyms
9-phenyl-9h-carbazole-3-boronic acid pinacol ester
CAS Number
1126522-69-7

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 7.0246  LogD (pH = 7.4) 7.0246 
Log P 7.0246  Molar Refractivity 118.1209 cm3
Polarizability 47.228962 Å3 Polar Surface Area 23.39 Å2
Rotatable Bonds Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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