The store will not work correctly when cookies are disabled.
JavaScript seems to be disabled in your browser.
For the best experience on our site, be sure to turn on Javascript in your browser.
This is a demo store. No orders will be fulfilled.
We use cookies to keep things working smoothly and to improve your experience.
Choose what’s okay for you below. See our Cookie Policy .
Accept Cookies
9,9-Bis[4-(1-pyrenyl)phenyl]fluorene - 96%, high purity , CAS No.1174006-47-3
Basic Description
Specifications & Purity
≥96%
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Pyrenes
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Pyrenes
Alternative Parents
Phenylnaphthalenes Phenanthrenes and derivatives Fluorenes Benzene and substituted derivatives Aromatic hydrocarbons Polycyclic hydrocarbons Unsaturated hydrocarbons
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Pyrene - Phenylnaphthalene - Phenanthrene - Fluorene - Naphthalene - Monocyclic benzene moiety - Aromatic hydrocarbon - Polycyclic hydrocarbon - Unsaturated hydrocarbon - Hydrocarbon - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as pyrenes. These are compounds containing a pyrene moiety, which consists four fused benzene rings, resulting in a flat aromatic system.
External Descriptors
Not available
Data sources
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.
Names and Identifiers
Pubchem Sid
504772761
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504772761
IUPAC Name
1-[4-[9-(4-pyren-1-ylphenyl)fluoren-9-yl]phenyl]pyrene
INCHI
InChI=1S/C57H34/c1-3-13-51-47(11-1)48-12-2-4-14-52(48)57(51,43-27-19-35(20-28-43)45-31-23-41-17-15-37-7-5-9-39-25-33-49(45)55(41)53(37)39)44-29-21-36(22-30-44)46-32-24-42-18-16-38-8-6-10-40-26-34-50(46)56(42)54(38)40/h1-34H
InChIKey
WHLKCPQPGTUZBU-UHFFFAOYSA-N
Smiles
C1=CC=C2C(=C1)C3=CC=CC=C3C2(C4=CC=C(C=C4)C5=C6C=CC7=CC=CC8=C7C6=C(C=C8)C=C5)C9=CC=C(C=C9)C1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1
Isomeric SMILES
C1=CC=C2C(=C1)C3=CC=CC=C3C2(C4=CC=C(C=C4)C5=C6C=CC7=CC=CC8=C7C6=C(C=C8)C=C5)C9=CC=C(C=C9)C1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1
Molecular Weight
718.9
Reaxy-Rn
37910220
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=37910220&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
718.900 g/mol
XLogP3
16.100
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
0
Rotatable Bond Count
4
Exact Mass
718.266 Da
Monoisotopic Mass
718.266 Da
Topological Polar Surface Area
0.000 Ų
Heavy Atom Count
57
Formal Charge
0
Complexity
1300.000
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
Solution Calculators
Molarity Calculator
Determine the necessary mass, volume, or concentration for preparing a solution.
Dilution Calculator
Determine the dilution needed to prepare a stock solution.
Reconstitution Calculator
Shall we send you a message when we have discounts available?
Remind me later
Allow
Thank you! Please check your email inbox to confirm.
Oops! Notifications are disabled.
C2513315