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1207176-72-4 molecular structure
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3-(7-bromo-9,9-dimethyl-9H-fluoren-2-yl)-9-(4-fluorophenyl)-9H-carbazole

ChemBase ID: 798704
Molecular Formular: C33H23BrFN
Molecular Mass: 532.4448232
Monoisotopic Mass: 531.09978996
SMILES and InChIs

SMILES:
c1ccc2c(c1)n(c1ccc(cc21)c1cc2C(c3c(c2cc1)ccc(c3)Br)(C)C)c1ccc(cc1)F
Canonical SMILES:
Fc1ccc(cc1)n1c2ccc(cc2c2c1cccc2)c1ccc2c(c1)C(C)(C)c1c2ccc(c1)Br
InChI:
InChI=1S/C33H23BrFN/c1-33(2)29-18-21(7-14-25(29)26-15-9-22(34)19-30(26)33)20-8-16-32-28(17-20)27-5-3-4-6-31(27)36(32)24-12-10-23(35)11-13-24/h3-19H,1-2H3
InChIKey:
ABYHGIVZASXIAT-UHFFFAOYSA-N

Cite this record

CBID:798704 http://www.chembase.cn/molecule-798704.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-(7-bromo-9,9-dimethyl-9H-fluoren-2-yl)-9-(4-fluorophenyl)-9H-carbazole
IUPAC Traditional name
3-(7-bromo-9,9-dimethylfluoren-2-yl)-9-(4-fluorophenyl)carbazole
Synonyms
3-(7-bromo-9,9-dimethyl-9h-fluoren-2-yl)-9-(4-fluorophenyl)-9h-carbazole
CAS Number
1207176-72-4

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) 9.88404  LogD (pH = 7.4) 9.88404 
Log P 9.88404  Molar Refractivity 169.7747 cm3
Polarizability 62.344093 Å3 Polar Surface Area 4.93 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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