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4,4''-Diethynyl-3',4',5',6'-tetrakis(4-ethynylphenyl)-1,1':2',1''-terphenyl

4,4''-Diethynyl-3',4',5',6'-tetrakis(4-ethynylphenyl)-1,1':2',1''-terphenyl

Inquiry

Molecular Formula:

C54H30

Molecular Weight:

678.82

CAS Number:

252238-71-4

Catalog Number:

252238-71-4

Product Information

Molecular Formula:

C54H30

Molecular Weight:

678.82

Synonyms

4,4''-Diethynyl-3',4',5',6'-tetrakis(4-ethynylphenyl)-1,1':2',1''-terphenyl; Hexa(4-ethynylphenyl)benzene; hexa-(4-ethynylphenyl)benzene

IUPAC Name

1,2,3,4,5,6-hexakis(4-ethynylphenyl)benzene

Canonical SMILES

C#CC1=CC=C(C=C1)C2=C(C(=C(C(=C2C3=CC=C(C=C3)C#C)C4=CC=C(C=C4)C#C)C5=CC=C(C=C5)C#C)C6=CC=C(C=C6)C#C)C7=CC=C(C=C7)C#C

InChI

InChI=1S/C54H30/c1-7-37-13-25-43(26-14-37)49-50(44-27-15-38(8-2)16-28-44)52(46-31-19-40(10-4)20-32-46)54(48-35-23-42(12-6)24-36-48)53(47-33-21-41(11-5)22-34-47)51(49)45-29-17-39(9-3)18-30-45/h1-6,13-36H

InChI Key

RIQNCWADMZKTFM-UHFFFAOYSA-N

Purity

98%

Computed Properties

XLogP3

13.2

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

678.234750957

Monoisotopic Mass

678.234750957

Topological Polar Surface Area

Heavy Atom Count

Formal Charge

Complexity

1210

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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4,4''-Diethynyl-3',4',5',6'-tetrakis(4-ethynylphenyl)-1,1':2',1''-terphenyl

Product Information

Computed Properties

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