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1028647-93-9 molecular structure
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3-(4-bromophenyl)-9-phenyl-9H-carbazole

ChemBase ID: 289520
Molecular Formular: C24H16BrN
Molecular Mass: 398.29454
Monoisotopic Mass: 397.04661152
SMILES and InChIs

SMILES:
Brc1ccc(cc1)c1ccc2n(c3ccccc3c2c1)c1ccccc1
Canonical SMILES:
Brc1ccc(cc1)c1ccc2c(c1)c1ccccc1n2c1ccccc1
InChI:
InChI=1S/C24H16BrN/c25-19-13-10-17(11-14-19)18-12-15-24-22(16-18)21-8-4-5-9-23(21)26(24)20-6-2-1-3-7-20/h1-16H
InChIKey:
JEYLGFCAZBGCMC-UHFFFAOYSA-N

Cite this record

CBID:289520 http://www.chembase.cn/molecule-289520.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-(4-bromophenyl)-9-phenyl-9H-carbazole
IUPAC Traditional name
3-(4-bromophenyl)-9-phenylcarbazole
Synonyms
3-(4-Bromophenyl)-9-phenyl-9H-carbazole
CAS Number
1028647-93-9
MDL Number
MFCD14582939
PubChem SID
180675051
PubChem CID
51358293

DATA SOURCES

DATA SOURCES

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Data Source Data ID Price
Bide Pharmatech
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Data Source Data ID
PubChem 51358293 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Molar Refractivity 121.2248 cm3 Polarizability 47.040382 Å3
Polar Surface Area 4.93 Å2 Rotatable Bonds
Lipinski's Rule of Five false  H Acceptors
H Donor LogD (pH = 5.5) 7.2272 
LogD (pH = 7.4) 7.2272  Log P 7.2272 

PROPERTIES

PROPERTIES

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

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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