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5,5''-Di-tert-butyl-5'-(3-(tert-butyl)-5-formyl-4-hydroxyphenyl)-4,4''-dihydroxy-[1,1':3',1''-terphenyl]-3,3''-dicarbaldehyde

5,5''-Di-tert-butyl-5'-(3-(tert-butyl)-5-formyl-4-hydroxyphenyl)-4,4''-dihydroxy-[1,1':3',1''-terphenyl]-3,3''-dicarbaldehyde

Inquiry

Molecular Formula:

C39H42O6

Molecular Weight:

606.75

CAS Number:

1809653-01-7

Catalog Number:

1809653-01-7

Product Information

Molecular Formula:

C39H42O6

Molecular Weight:

606.75

Synonyms

5,5''-Di-tert-butyl-5'-(3-(tert-butyl)-5-formyl-4-hydroxyphenyl)-4,4''-dihydroxy-[1,1':3',1''-terphenyl]-3,3''-dicarbaldehyde; 5-[3,5-bis(3-tert-butyl-5-formyl-4-hydroxyphenyl)phenyl]-3-tert-butyl-2-hydroxybenzaldehyde; 3,3',3''-(Benzene-1,3,5-triyl)tris(5-(tert-butyl)-6-hydroxybenzaldehyde); [1,1':3',1''-Terphenyl]-3,3''-dicarboxaldehyde,5,5''-bis(1,1-dimethylethyl)-5'-[3-(1,1-dimethylethyl)-5-formyl-4-hydroxyphenyl]-4,4''-dihydroxy-

IUPAC Name

5-[3,5-bis(3-tert-butyl-5-formyl-4-hydroxyphenyl)phenyl]-3-tert-butyl-2-hydroxybenzaldehyde

Canonical SMILES

CC(C)(C)C1=CC(=CC(=C1O)C=O)C2=CC(=CC(=C2)C3=CC(=C(C(=C3)C(C)(C)C)O)C=O)C4=CC(=C(C(=C4)C(C)(C)C)O)C=O

InChI

InChI=1S/C39H42O6/c1-37(2,3)31-16-25(13-28(19-40)34(31)43)22-10-23(26-14-29(20-41)35(44)32(17-26)38(4,5)6)12-24(11-22)27-15-30(21-42)36(45)33(18-27)39(7,8)9/h10-21,43-45H,1-9H3

InChI Key

KHIRIXXJSQJHGV-UHFFFAOYSA-N

Purity

98%

Safety Information

Hazards

H315-H319

Precautionary Statement

P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313

GHS Pictogram

GHS07

Signal Word

Warning

Computed Properties

XLogP3

10.8

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

606.29813906

Monoisotopic Mass

606.29813906

Topological Polar Surface Area

112

Heavy Atom Count

Formal Charge

Complexity

878

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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5,5''-Di-tert-butyl-5'-(3-(tert-butyl)-5-formyl-4-hydroxyphenyl)-4,4''-dihydroxy-[1,1':3',1''-terphenyl]-3,3''-dicarbaldehyde

Product Information

Safety Information

Computed Properties

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