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85171-94-4 molecular structure
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N,N-dibenzyl-4-[(diphenylhydrazin-1-ylidene)methyl]aniline

ChemBase ID: 145194
Molecular Formular: C33H29N3
Molecular Mass: 467.60346
Monoisotopic Mass: 467.23614794
SMILES and InChIs

SMILES:
c1ccc(cc1)CN(Cc1ccccc1)c1ccc(cc1)/C=N/N(c1ccccc1)c1ccccc1
Canonical SMILES:
c1ccc(cc1)CN(c1ccc(cc1)/C=N/N(c1ccccc1)c1ccccc1)Cc1ccccc1
InChI:
InChI=1S/C33H29N3/c1-5-13-29(14-6-1)26-35(27-30-15-7-2-8-16-30)31-23-21-28(22-24-31)25-34-36(32-17-9-3-10-18-32)33-19-11-4-12-20-33/h1-25H,26-27H2
InChIKey:
IRKBOPBCDTWDDY-UHFFFAOYSA-N

Cite this record

CBID:145194 http://www.chembase.cn/molecule-145194.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N,N-dibenzyl-4-[(diphenylhydrazin-1-ylidene)methyl]aniline
IUPAC Traditional name
N,N-dibenzyl-4-[(diphenylhydrazin-1-ylidene)methyl]aniline
Synonyms
4-(Dibenzylamino)benzaldehyde-N,N-diphenylhydrazone
4-(二苄基氨基)苯甲醛-N,N-二苯腙
CAS Number
85171-94-4
MDL Number
MFCD00145074
PubChem SID
162239404
24879029
PubChem CID
9646955

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
548367 external link Add to cart Please log in.
Data Source Data ID
PubChem 9646955 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 6.279859  LogD (pH = 7.4) 8.032498 
Log P 9.2416  Molar Refractivity 161.6164 cm3
Polarizability 57.369804 Å3 Polar Surface Area 18.84 Å2
Rotatable Bonds Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
148-152 °C(lit.) expand Show data source
Absorption Wavelength
λmax 362 nm expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Purity
97% expand Show data source
Linear Formula
(C6H5)2N2CHC6H4N(CH2C6H5)2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 548367 external link
Application
Organic photoconductor. Charge transporting molecule for NLO applications.
Packaging
1 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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