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83992-95-4 molecular structure
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4-[(1E)-(diphenylhydrazin-1-ylidene)methyl]-N,N-bis(4-methylphenyl)aniline

ChemBase ID: 180270
Molecular Formular: C33H29N3
Molecular Mass: 467.60346
Monoisotopic Mass: 467.23614794
SMILES and InChIs

SMILES:
N(=C\c1ccc(N(c2ccc(cc2)C)c2ccc(cc2)C)cc1)/N(c1ccccc1)c1ccccc1
Canonical SMILES:
Cc1ccc(cc1)N(c1ccc(cc1)C)c1ccc(cc1)/C=N/N(c1ccccc1)c1ccccc1
InChI:
InChI=1S/C33H29N3/c1-26-13-19-29(20-14-26)35(30-21-15-27(2)16-22-30)31-23-17-28(18-24-31)25-34-36(32-9-5-3-6-10-32)33-11-7-4-8-12-33/h3-25H,1-2H3/b34-25+
InChIKey:
WCVWLLLVYFDRTB-YQCHCMBFSA-N

Cite this record

CBID:180270 http://www.chembase.cn/molecule-180270.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-[(1E)-(diphenylhydrazin-1-ylidene)methyl]-N,N-bis(4-methylphenyl)aniline
IUPAC Traditional name
4-[(1E)-(diphenylhydrazin-1-ylidene)methyl]-N,N-bis(4-methylphenyl)aniline
Synonyms
4-Bis(4-methylphenyl)aminobenzaldehyde-1,1-diphenyl-hydrazone
CAS Number
83992-95-4
PubChem SID
164236180
PubChem CID
20431411

DATA SOURCES

DATA SOURCES

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Data Source Data ID Price
Chemik
CHB18597 external link Add to cart Please log in.
Data Source Data ID
PubChem 20431411 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 6.5993953  LogD (pH = 7.4) 8.357213 
Log P 9.5382  Molar Refractivity 161.2055 cm3
Polarizability 57.195595 Å3 Polar Surface Area 18.84 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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INTERNET

INTERNET

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