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(S)-3,3'-Di-9-phenanthrenyl-[1,1'-binaphthalene]-2,2'-diol - 98%, high purity , CAS No.957111-25-0

COA

Grade & Purity:

≥98%

Cas Number: 957111-25-0
Molecular Weight: 638.75
MDL number: MFCD09027269
PubChem CID: 44886956
PubChem SID: 488201107

In stock

Item Number

R469969

Grouped product items
SKU	Size	Availability	Price
R469969-100mg	100mg	3	$485.90
R469969-500mg	500mg	2	$968.90
R469969-1g	1g	1	$1,934.90
R469969-5g	5g	1	$3,867.90

Basic Description

Synonyms	SCHEMBL18912097 \| 1058734-56-7 \| D74709 \| (1S)-3,3'-DI(PHENANTHREN-9-YL)-1,1'-BINAPHTHALENE-2,2'-DIOL \| DTXSID70661243 \| (R)-3,3'-Di-9-phenanthrenyl-1,1'-bi-2-naphthol, 97% \| 1-(2-hydroxy-3-phenanthren-9-ylnaphthalen-1-yl)-3-phenanthren-9-ylnaphthalen-2-o
Specifications & Purity	≥98%
Storage Temp	Store at 2-8°C,Argon charged
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 Benzenoids
  - Class Phenanthrenes and derivatives

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Phenanthrenes and derivatives
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Phenanthrenes and derivatives
Alternative Parents	Naphthols and derivatives Phenols Organooxygen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic homopolycyclic compounds
Substituents	Phenanthrene - 2-naphthol - Naphthalene - Phenol - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homopolycyclic compound
Description	This compound belongs to the class of organic compounds known as phenanthrenes and derivatives. These are polycyclic compounds containing a phenanthrene moiety, which is a tricyclic aromatic compound with three non-linearly fused benzene.
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	488201107
IUPAC Name	1-(2-hydroxy-3-phenanthren-9-ylnaphthalen-1-yl)-3-phenanthren-9-ylnaphthalen-2-ol
INCHI	InChI=1S/C48H30O2/c49-47-43(41-25-29-13-1-5-17-33(29)37-21-9-11-23-39(37)41)27-31-15-3-7-19-35(31)45(47)46-36-20-8-4-16-32(36)28-44(48(46)50)42-26-30-14-2-6-18-34(30)38-22-10-12-24-40(38)42/h1-28,49-50H
InChIKey	XYUOTCUHTHQCNC-UHFFFAOYSA-N
Smiles	C1=CC=C2C(=C1)C=C(C3=CC=CC=C23)C4=CC5=CC=CC=C5C(=C4O)C6=C(C(=CC7=CC=CC=C76)C8=CC9=CC=CC=C9C1=CC=CC=C18)O
Isomeric SMILES	C1=CC=C2C(=C1)C=C(C3=CC=CC=C23)C4=CC5=CC=CC=C5C(=C4O)C6=C(C(=CC7=CC=CC=C76)C8=CC9=CC=CC=C9C1=CC=CC=C18)O
PubChem CID	44886956
Molecular Weight	638.75

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

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

Analytical Chart:

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8 results found

Lot Number	Certificate Type	Date	Item
E23151187	Certificate of Analysis	Apr 12, 2023	R469969
E23151190	Certificate of Analysis	Apr 12, 2023	R469969
E23151193	Certificate of Analysis	Apr 12, 2023	R469969
E23151183	Certificate of Analysis	Apr 12, 2023	R469969
E23151181	Certificate of Analysis	Apr 12, 2023	R469969
E23151194	Certificate of Analysis	Apr 12, 2023	R469969
E23151195	Certificate of Analysis	Apr 12, 2023	R469969
E23151191	Certificate of Analysis	Apr 12, 2023	R469969

Chemical and Physical Properties

Molecular Weight	638.700 g/mol
XLogP3	13.600
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	638.225 Da
Monoisotopic Mass	638.225 Da
Topological Polar Surface Area	40.500 Å²
Heavy Atom Count	50
Formal Charge	0
Complexity	1060.000
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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