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30363-03-2 molecular structure
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tris(4-bromophenyl)-1,3,5-triazine

ChemBase ID: 293593
Molecular Formular: C21H12Br3N3
Molecular Mass: 546.05208
Monoisotopic Mass: 542.8581334
SMILES and InChIs

SMILES:
Brc1ccc(c2nc(c3ccc(Br)cc3)nc(c3ccc(Br)cc3)n2)cc1
Canonical SMILES:
Brc1ccc(cc1)c1nc(nc(n1)c1ccc(cc1)Br)c1ccc(cc1)Br
InChI:
InChI=1S/C21H12Br3N3/c22-16-7-1-13(2-8-16)19-25-20(14-3-9-17(23)10-4-14)27-21(26-19)15-5-11-18(24)12-6-15/h1-12H
InChIKey:
WZYVDGDZBNQVCF-UHFFFAOYSA-N

Cite this record

CBID:293593 http://www.chembase.cn/molecule-293593.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tris(4-bromophenyl)-1,3,5-triazine
IUPAC Traditional name
tris(4-bromophenyl)-1,3,5-triazine
Synonyms
2,4,6-Tris(4-bromophenyl)-1,3,5-triazine
2,4,6-Tris-(4-broMophenyl)[1,3,5]triazine
CAS Number
30363-03-2
MDL Number
MFCD04116312
PubChem SID
180679124
PubChem CID
35224

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 35224 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 9.274217  LogD (pH = 7.4) 9.2742195 
Log P 9.2742195  Molar Refractivity 151.6233 cm3
Polarizability 46.718567 Å3 Polar Surface Area 38.67 Å2
Rotatable Bonds Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

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

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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