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3',4',5',6'-Tetrakis(4-aminophenyl)-[1,1':2',1''-terphenyl]-4,4''-diamine

3',4',5',6'-Tetrakis(4-aminophenyl)-[1,1':2',1''-terphenyl]-4,4''-diamine

Inquiry

Molecular Formula:

C42H36N6

Molecular Weight:

624.78

CAS Number:

840503-80-2

Catalog Number:

840503-80-2

Product Information

Molecular Formula:

C42H36N6

Molecular Weight:

624.78

Synonyms

3',4',5',6'-Tetrakis(4-aminophenyl)-[1,1':2',1''-terphenyl]-4,4''-diamine; Hexakis(4-aminophenyl)benzene

IUPAC Name

4-[2,3,4,5,6-pentakis(4-aminophenyl)phenyl]aniline

Canonical SMILES

C1=CC(=CC=C1C2=C(C(=C(C(=C2C3=CC=C(C=C3)N)C4=CC=C(C=C4)N)C5=CC=C(C=C5)N)C6=CC=C(C=C6)N)C7=CC=C(C=C7)N)N

InChI

InChI=1S/C42H36N6/c43-31-13-1-25(2-14-31)37-38(26-3-15-32(44)16-4-26)40(28-7-19-34(46)20-8-28)42(30-11-23-36(48)24-12-30)41(29-9-21-35(47)22-10-29)39(37)27-5-17-33(45)18-6-27/h1-24H,43-48H2

InChI Key

NHWYHWCSDIIDAT-UHFFFAOYSA-N

Purity

97%

Computed Properties

XLogP3

7.6

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

624.30014517

Monoisotopic Mass

624.30014517

Topological Polar Surface Area

156

Heavy Atom Count

Formal Charge

Complexity

745

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
CN-114214751-A	Covalent bond organic framework nanofiber and preparation method and application thereof	2022-01-14
KR-101633278-B1	Binder composition for anode active material composition of lithium secondary battery, and anode active material and lithium secondary battery prepared therefrom	2015-01-13
US-2011274713-A1	Antigen-presenting scaffolds	2008-08-05

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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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3',4',5',6'-Tetrakis(4-aminophenyl)-[1,1':2',1''-terphenyl]-4,4''-diamine

Product Information

Computed Properties

Patents

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