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4',4''',4'''''-(1,3,5-Triazine-2,4,6-triyl)tris(([1,1'-biphenyl]-4-amine))

4',4''',4'''''-(1,3,5-Triazine-2,4,6-triyl)tris(([1,1'-biphenyl]-4-amine))

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Molecular Formula:

C39H30N6

Molecular Weight:

582.7

CAS Number:

2130745-76-3

Catalog Number:

2130745-76-3

Product Information

Molecular Formula:

C39H30N6

Molecular Weight:

582.7

Synonyms

4,4,4-(1,3,5-triazine-2,4,6-triyl)tris(([1,1-biphenyl]-4-amine))

IUPAC Name

4-[4-[4,6-bis[4-(4-aminophenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]aniline

Canonical SMILES

C1=CC(=CC=C1C2=CC=C(C=C2)N)C3=NC(=NC(=N3)C4=CC=C(C=C4)C5=CC=C(C=C5)N)C6=CC=C(C=C6)C7=CC=C(C=C7)N

InChI

InChI=1S/C39H30N6/c40-34-19-13-28(14-20-34)25-1-7-31(8-2-25)37-43-38(32-9-3-26(4-10-32)29-15-21-35(41)22-16-29)45-39(44-37)33-11-5-27(6-12-33)30-17-23-36(42)24-18-30/h1-24H,40-42H2

InChI Key

YZHZLVSLFBPKBX-UHFFFAOYSA-N

Purity

98%

Safety Information

Hazards

H302-H315-H319-H335

Precautionary Statement

P261-P280-P301+P312-P302+P352-P305+P351+P338

GHS Pictogram

GHS07

Signal Word

Warning

Computed Properties

XLogP3

7.8

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

582.25319498

Monoisotopic Mass

582.25319498

Topological Polar Surface Area

117

Heavy Atom Count

Formal Charge

Complexity

740

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
KR-20210039255-A	Novel covalent organic framework photocatalyst with fine-tuned band structure, and method for production of formic acid from carbon dioxide by applying the same to a photocatalyst-enzyme integrated system	2019-10-01

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Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

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This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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