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1,3,5-tris(4′-carboxyl,1′-biphenyl-4-yl)benzene - 95%, high purity , CAS No.911818-75-2

COA

Grade & Purity:

≥95%

Cas Number: 911818-75-2
Molecular Weight: 666.72
PubChem CID: 59567202
PubChem SID: 504771753

In stock

Item Number

B300970

Grouped product items
SKU	Size	Availability	Price
B300970-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$29.90
B300970-250mg	250mg	3	$61.90
B300970-1g	1g	2	$163.90
B300970-5g	5g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$572.90

Basic Description

Synonyms	CS-0040183 \| A903025 \| DTXSID00732410 \| TCBTB \| SCHEMBL142861 \| D84071 \| 1,3,5-Tris(4 inverted exclamation marka-carboxy[1,1 inverted exclamation marka-biphenyl]-4-yl)benzene \| BS-51909 \| 1,3,5-tris[4'-carboxy(1,1'-biphenyl-4-yl)]benzene; \| YSWG148 \| BCP2
Specifications & Purity	≥95%
Storage Temp	Store at 2-8°C
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Phenylpropanoids and polyketides
  - Class Diarylheptanoids
    - Subclass Linear diarylheptanoids

Kingdom	Organic compounds
Superclass	Phenylpropanoids and polyketides
Class	Diarylheptanoids
Subclass	Linear diarylheptanoids
Intermediate Tree Nodes	Not available
Direct Parent	Linear diarylheptanoids
Alternative Parents	P-terphenyls Biphenyls and derivatives Benzoic acids Benzoyl derivatives Carboxylic acids Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Linear 1,7-diphenylheptane skeleton - Terphenyl - Para-terphenyl - Biphenyl - Benzoic acid or derivatives - Benzoic acid - Benzoyl - Benzenoid - Monocyclic benzene moiety - Carboxylic acid - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as linear diarylheptanoids. These are diarylheptanoids with an open heptane chain. The two aromatic rings are linked only by the heptane chain.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

Pubchem Sid	504771753
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504771753
IUPAC Name	4-[4-[3,5-bis[4-(4-carboxyphenyl)phenyl]phenyl]phenyl]benzoic acid
INCHI	InChI=1S/C45H30O6/c46-43(47)37-19-13-31(14-20-37)28-1-7-34(8-2-28)40-25-41(35-9-3-29(4-10-35)32-15-21-38(22-16-32)44(48)49)27-42(26-40)36-11-5-30(6-12-36)33-17-23-39(24-18-33)45(50)51/h1-27H,(H,46,47)(H,48,49)(H,50,51)
InChIKey	PEQRGMPXYDIZSX-UHFFFAOYSA-N
Smiles	C1=CC(=CC=C1C2=CC=C(C=C2)C(=O)O)C3=CC(=CC(=C3)C4=CC=C(C=C4)C5=CC=C(C=C5)C(=O)O)C6=CC=C(C=C6)C7=CC=C(C=C7)C(=O)O
Isomeric SMILES	C1=CC(=CC=C1C2=CC=C(C=C2)C(=O)O)C3=CC(=CC(=C3)C4=CC=C(C=C4)C5=CC=C(C=C5)C(=O)O)C6=CC=C(C=C6)C7=CC=C(C=C7)C(=O)O
WGK Germany	2
Molecular Weight	666.72
Reaxy-Rn	17974191
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=17974191&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

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3 results found

Lot Number	Certificate Type	Date	Item
C2209153	Certificate of Analysis	Dec 18, 2024	B300970
C2209646	Certificate of Analysis	Dec 18, 2024	B300970
C2209154	Certificate of Analysis	Dec 18, 2024	B300970

Chemical and Physical Properties

Melt Point(°C)	> 300 °C
Molecular Weight	666.700 g/mol
XLogP3	10.300
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	9
Exact Mass	666.204 Da
Monoisotopic Mass	666.204 Da
Topological Polar Surface Area	112.000 Å²
Heavy Atom Count	51
Formal Charge	0
Complexity	981.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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