≥90% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal 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=CC2=CC=C1C3=CC=C(C=C3)C4=CC=C(C=C4)C5=CC=C(C=C5)C6=CC=C(C=C6)C7=CC=C(C=C7)C8=CC=C(C=C8)C9=CC=C(C=C9)C1=CC=C(C=C1)C1=CC=C(C=C1)C1=CC=C(C=C1)C1=CC=C2C=C1 |
|---|---|
| IUPAC Name | tridecacyclo[44.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29.230,33.234,37.238,41.242,45]doheptaconta-1(48),2(72),3,5(71),6(70),7,9(69),10(68),11,13(67),14(66),15,17(65),18(64),19,21(63),22(62),23,25(61),26,28,30,32,34,36,38,40,42,44,46,49,51,53,55,57,59-hexatriacontaene |
| InChIKey | AAFTYBVDGIFJMP-UHFFFAOYSA-N |
| INCHI | 1S/C72H48/c1-2-50-4-3-49(1)51-5-7-53(8-6-51)55-13-15-57(16-14-55)59-21-23-61(24-22-59)63-29-31-65(32-30-63)67-37-39-69(40-38-67)71-45-47-72(48-46-71)70-43-41-68(42-44-70)66-35-33-64(34-36-66)62-27-25-60(26-28-62)58-19-17-56(18-20-58)54-11-9-52(50)10-12-54/h1-48H |
| Isomeric SMILES | C1=CC2=CC=C1C3=CC=C(C=C3)C4=CC=C(C=C4)C5=CC=C(C=C5)C6=CC=C(C=C6)C7=CC=C(C=C7)C8=CC=C(C=C8)C9=CC=C(C=C9)C1=CC=C(C=C1)C1=CC=C(C=C1)C1=CC=C(C=C1)C1=CC=C2C=C1 |
| Molecular Weight | 913.18 |
| Reaxy-Rn | 19156938 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=19156938&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 | Benzenoids |
| Class | Not available |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzenoids |
| Alternative Parents | Aromatic hydrocarbons Polycyclic hydrocarbons Unsaturated hydrocarbons |
| Molecular Framework | Aromatic homopolycyclic compounds |
| Substituents | Benzenoid - Aromatic hydrocarbon - Polycyclic hydrocarbon - Unsaturated hydrocarbon - Hydrocarbon - Aromatic homopolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzenoids. These are aromatic compounds containing one or more benzene rings. |
| External Descriptors | Not available |
| Sensitivity | Air Sensitive |
|---|---|
| Molecular Weight | 913.100 g/mol |
| XLogP3 | 19.500 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 0 |
| Rotatable Bond Count | 0 |
| Exact Mass | 912.376 Da |
| Monoisotopic Mass | 912.376 Da |
| Topological Polar Surface Area | 0.000 Ų |
| Heavy Atom Count | 72 |
| Formal Charge | 0 |
| Complexity | 1010.000 |
| 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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