≥95% 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 | CC(C)(C)C1=CC=C(C=C1)OC2=C3C4=C(C=C5C6=C4C(=C(C=C6C(=O)OC5=O)OC7=CC=C(C=C7)C(C)(C)C)C8=C(C=C9C(=C38)C(=C2)C(=O)OC9=O)OC1=CC=C(C=C1)C(C)(C)C)OC1=CC=C(C=C1)C(C)(C)C |
|---|---|
| IUPAC Name | 11,14,22,26-tetrakis(4-tert-butylphenoxy)-7,18-dioxaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,8,17,19-tetrone |
| InChIKey | OIBUEAFZCMYHPY-UHFFFAOYSA-N |
| INCHI | 1S/C64H56O10/c1-61(2,3)33-13-21-37(22-14-33)69-45-29-41-49-42(58(66)73-57(41)65)31-47(71-39-25-17-35(18-26-39)63(7,8)9)53-54-48(72-40-27-19-36(20-28-40)64(10,11)12)32-44-50-43(59(67)74-60(44)68)30-46(52(56(50)54)51(45)55(49)53)70-38-23-15-34(16-24-38)62(4,5)6/h13-32H,1-12H3 |
| Isomeric SMILES | CC(C)(C)C1=CC=C(C=C1)OC2=C3C4=C(C=C5C6=C4C(=C(C=C6C(=O)OC5=O)OC7=CC=C(C=C7)C(C)(C)C)C8=C(C=C9C(=C38)C(=C2)C(=O)OC9=O)OC1=CC=C(C=C1)C(C)(C)C)OC1=CC=C(C=C1)C(C)(C)C |
| PubChem CID | 12153961 |
| Molecular Weight | 985.12 |
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 | Organoheterocyclic compounds |
| Class | Naphthopyrans |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Naphthopyrans |
| Alternative Parents | Phenanthrenes and derivatives Anthracenes Isocoumarins and derivatives Diarylethers 2-benzopyrans Phenylpropanes Phenoxy compounds Phenol ethers Pyranones and derivatives Heteroaromatic compounds Lactones Oxacyclic compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Anthracene - Naphthopyran - Phenanthrene - Diaryl ether - Isocoumarin - Benzopyran - 2-benzopyran - Phenylpropane - Phenoxy compound - Phenol ether - Pyranone - Monocyclic benzene moiety - Benzenoid - Pyran - Heteroaromatic compound - Lactone - Oxacycle - Ether - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organic oxygen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as naphthopyrans. These are compounds containing a pyran ring fused to a naphthalene moiety. Furan is a 6 membered-ring non-aromatic ring with five carbon and one oxygen atoms. Naphthalene is a polycyclic aromatic hydrocarbon made up of two fused benzene rings. |
| External Descriptors | Not available |
| Molecular Weight | 985.100 g/mol |
|---|---|
| XLogP3 | 17.300 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 12 |
| Exact Mass | 984.387 Da |
| Monoisotopic Mass | 984.387 Da |
| Topological Polar Surface Area | 124.000 Ų |
| Heavy Atom Count | 74 |
| Formal Charge | 0 |
| Complexity | 1770.000 |
| 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 |
