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2',5'-Bis((4-aminophenyl)ethynyl)-[1,1':4',1''-terphenyl]-4,4''-dicarbaldehyde

2',5'-Bis((4-aminophenyl)ethynyl)-[1,1':4',1''-terphenyl]-4,4''-dicarbaldehyde

Inquiry

Molecular Formula:

C36H24N2O2

Molecular Weight:

516.59

CAS Number:

2375652-87-0

Catalog Number:

2375652-87-0

Product Information

Molecular Formula:

C36H24N2O2

Molecular Weight:

516.59

IUPAC Name

4-[2,5-bis[2-(4-aminophenyl)ethynyl]-4-(4-formylphenyl)phenyl]benzaldehyde

Canonical SMILES

C1=CC(=CC=C1C=O)C2=CC(=C(C=C2C#CC3=CC=C(C=C3)N)C4=CC=C(C=C4)C=O)C#CC5=CC=C(C=C5)N

InChI

InChI=1S/C36H24N2O2/c37-33-17-7-25(8-18-33)1-15-31-21-36(30-13-5-28(24-40)6-14-30)32(16-2-26-9-19-34(38)20-10-26)22-35(31)29-11-3-27(23-39)4-12-29/h3-14,17-24H,37-38H2

InChI Key

JPIQKOFKCSDLQZ-UHFFFAOYSA-N

Purity

97%

Safety Information

Hazards

H302-H315-H319-H335

Precautionary Statement

P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501

GHS Pictogram

GHS07

Signal Word

Warning

Computed Properties

XLogP3

6.8

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

516.183778013

Monoisotopic Mass

516.183778013

Topological Polar Surface Area

86.2

Heavy Atom Count

Formal Charge

Complexity

883

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

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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2',5'-Bis((4-aminophenyl)ethynyl)-[1,1':4',1''-terphenyl]-4,4''-dicarbaldehyde

Product Information

Safety Information

Computed Properties

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