4,4'-(Anthracene-9,10-diylbis(ethyne-2,1-diyl))dibenzonitrile

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Product Information

Molecular Formula
C32H16N2
Molecular Weight
428.48
Synonyms
9,10-Bis(4-cyanophenylethynyl)anthracene; 4-[2-[10-[2-(4-cyanophenyl)ethynyl]anthracen-9-yl]ethynyl]benzonitrile
IUPAC Name
4-[2-[10-[2-(4-cyanophenyl)ethynyl]anthracen-9-yl]ethynyl]benzonitrile
SMILES
C1=CC=C2C(=C1)C(=C3C=CC=CC3=C2C#CC4=CC=C(C=C4)C#N)C#CC5=CC=C(C=C5)C#N
InChI
InChI=1S/C32H16N2/c33-21-25-13-9-23(10-14-25)17-19-31-27-5-1-2-6-28(27)32(30-8-4-3-7-29(30)31)20-18-24-11-15-26(22-34)16-12-24/h1-16H
InChI Key
DLULEDYGRANSMB-UHFFFAOYSA-N
Purity
90%

Safety Information

Hazards
H315-H319
Precautionary Statement
P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
GHS Pictogram
GHS07
Signal Word
Warning

Computed Properties

XLogP3
7.9
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
4
Exact Mass
428.131348519
Monoisotopic Mass
428.131348519
Topological Polar Surface Area
47.6
Heavy Atom Count
34
Formal Charge
0
Complexity
842
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes

Patents

Publication Number Title Priority Date
JP-2800845-B2 Anthracene derivative 1990-10-29
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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