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1247124-77-1 molecular structure
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2-chloro-4,6-bis(naphthalen-2-yl)-1,3,5-triazine

ChemBase ID: 180484
Molecular Formular: C23H14ClN3
Molecular Mass: 367.83036
Monoisotopic Mass: 367.08762514
SMILES and InChIs

SMILES:
n1c(nc(nc1c1cc2c(cc1)cccc2)c1cc2c(cc1)cccc2)Cl
Canonical SMILES:
Clc1nc(nc(n1)c1ccc2c(c1)cccc2)c1ccc2c(c1)cccc2
InChI:
InChI=1S/C23H14ClN3/c24-23-26-21(19-11-9-15-5-1-3-7-17(15)13-19)25-22(27-23)20-12-10-16-6-2-4-8-18(16)14-20/h1-14H
InChIKey:
CNJJVLLNTJDXEA-UHFFFAOYSA-N

Cite this record

CBID:180484 http://www.chembase.cn/molecule-180484.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-chloro-4,6-bis(naphthalen-2-yl)-1,3,5-triazine
IUPAC Traditional name
2-chloro-4,6-bis(naphthalen-2-yl)-1,3,5-triazine
Synonyms
2-Chloro-4,6-di(naphthalen-2-yl)-1,3,5-triazine
CAS Number
1247124-77-1
PubChem SID
164236394
PubChem CID
59365884

DATA SOURCES

DATA SOURCES

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Data Source Data ID Price
Chemik
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Data Source Data ID
PubChem 59365884 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 7.4155564  LogD (pH = 7.4) 7.415557 
Log P 7.415557  Molar Refractivity 131.7428 cm3
Polarizability 45.435337 Å3 Polar Surface Area 38.67 Å2
Rotatable Bonds Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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