Hexaphenylbenzene

Inquiry

Molecular Formula:

C42H30

Molecular Weight:

534.69

CAS Number:

992-04-1

Catalog Number:

992-04-1

Product Information

Molecular Formula:

C42H30

Molecular Weight:

534.69

Description

Hexaphenylbenzene was used as a modifier/additive to the synthesis of poly (ether sulfone) membranes (PHP) for the use as proton exchange membrane fuel cells.

Synonyms

1,2,3,4,5,6-hexakis-phenylbenzene

IUPAC Name

1,2,3,4,5,6-hexakis-phenylbenzene

Canonical SMILES

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

InChI

InChI=1S/C42H30/c1-7-19-31(20-8-1)37-38(32-21-9-2-10-22-32)40(34-25-13-4-14-26-34)42(36-29-17-6-18-30-36)41(35-27-15-5-16-28-35)39(37)33-23-11-3-12-24-33/h1-30H

InChI Key

QBHWPVJPWQGYDS-UHFFFAOYSA-N

Boiling Point

547.47 °C (rough estimate)

Melting Point

>300 °C (lit.)

Purity

98 %

Density

1.111 g/cm³

Appearance

White to orange to green powder to crystal

Refractive Index

1.4690 (estimate)

LogP

11.68860

Computed Properties

XLogP3

11.7

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

534.234750957 g/mol

Monoisotopic Mass

534.234750957 g/mol

Topological Polar Surface Area

0Å²

Heavy Atom Count

Formal Charge

Complexity

579

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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Hexaphenylbenzene

Product Information

Computed Properties

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