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

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

Inquiry

Molecular Formula:

C32H16N2

Molecular Weight:

428.48

CAS Number:

136809-42-2

Catalog Number:

136809-42-2

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

Canonical 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

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

428.131348519

Monoisotopic Mass

428.131348519

Topological Polar Surface Area

47.6

Heavy Atom Count

Formal Charge

Complexity

842

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

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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Volume _(start)

Concentration _(final)

Volume _(final)