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sublimed grade, ≥99%(HPLC) Sublimed grade for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | C1=CC=C(C=C1)C2=CC=C(C=C2)C3=C4C=CC=CC4=C(C5=CC=CC=C53)C6=C7C=CC=CC7=C(C8=CC=CC=C86)C9=CC=C(C=C9)C1=CC=CC=C1 |
|---|---|
| IUPAC Name | 9-(4-phenylphenyl)-10-[10-(4-phenylphenyl)anthracen-9-yl]anthracene |
| InChIKey | KIQHGZHPNCGQJY-UHFFFAOYSA-N |
| INCHI | 1S/C52H34/c1-3-15-35(16-4-1)37-27-31-39(32-28-37)49-41-19-7-11-23-45(41)51(46-24-12-8-20-42(46)49)52-47-25-13-9-21-43(47)50(44-22-10-14-26-48(44)52)40-33-29-38(30-34-40)36-17-5-2-6-18-36/h1-34H |
| Isomeric SMILES | C1=CC=C(C=C1)C2=CC=C(C=C2)C3=C4C=CC=CC4=C(C5=CC=CC=C53)C6=C7C=CC=CC7=C(C8=CC=CC=C86)C9=CC=C(C=C9)C1=CC=CC=C1 |
| Reaxy-Rn | 28461518 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=28461518&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Lignans, neolignans and related compounds |
| Class | Arylnaphthalene lignans |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Arylnaphthalene lignans |
| Alternative Parents | Anthracenes Biphenyls and derivatives Aromatic hydrocarbons Polycyclic hydrocarbons Unsaturated hydrocarbons |
| Molecular Framework | Aromatic homopolycyclic compounds |
| Substituents | Arylnaphthalene lignan skeleton - Anthracene - Biphenyl - Benzenoid - 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 arylnaphthalene lignans. These are lignans containing the arylnaphthalene skeleton, especially 9-(2H-1,3-benzodioxol-5-yl)-1H,3H-naphtho[2,3-c]furan-1-one or a derivative thereof. Arylnaphthalene lignans occur in nature and exhibit diverse biological activities. |
| External Descriptors | Not available |
| Molecular Weight | 658.800 g/mol |
|---|---|
| XLogP3 | 15.100 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 0 |
| Rotatable Bond Count | 5 |
| Exact Mass | 658.266 Da |
| Monoisotopic Mass | 658.266 Da |
| Topological Polar Surface Area | 0.000 Ų |
| Heavy Atom Count | 52 |
| Formal Charge | 0 |
| Complexity | 973.000 |
| 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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