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2,2'-(5'-(4-(Cyanomethyl)phenyl)-[1,1':3',1''-terphenyl]-4,4''-diyl)diacetonitrile

2,2'-(5'-(4-(Cyanomethyl)phenyl)-[1,1':3',1''-terphenyl]-4,4''-diyl)diacetonitrile

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Molecular Formula:

C30H21N3

Molecular Weight:

423.51

CAS Number:

2311888-44-3

Catalog Number:

2311888-44-3

Product Information

Molecular Formula:

C30H21N3

Molecular Weight:

423.51

IUPAC Name

2-[4-[3,5-bis[4-(cyanomethyl)phenyl]phenyl]phenyl]acetonitrile

Canonical SMILES

C1=CC(=CC=C1CC#N)C2=CC(=CC(=C2)C3=CC=C(C=C3)CC#N)C4=CC=C(C=C4)CC#N

InChI

InChI=1S/C30H21N3/c31-16-13-22-1-7-25(8-2-22)28-19-29(26-9-3-23(4-10-26)14-17-32)21-30(20-28)27-11-5-24(6-12-27)15-18-33/h1-12,19-21H,13-15H2

InChI Key

IZBDPTLGINUZJG-UHFFFAOYSA-N

Purity

98%

Solubility

Insoluble

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

5.8

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

423.173547683

Monoisotopic Mass

423.173547683

Topological Polar Surface Area

71.4

Heavy Atom Count

Formal Charge

Complexity

634

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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2,2'-(5'-(4-(Cyanomethyl)phenyl)-[1,1':3',1''-terphenyl]-4,4''-diyl)diacetonitrile

Product Information

Safety Information

Computed Properties

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