| Canonical Smiles | COC1=CC2=C(C=C1)C=C(C=C2)C3=C4C=CC=CC4=C(C5=CC=CC=C53)C6=CC7=C(C=C6)C=C(C=C7)OC |
|---|---|
| IUPAC Name | 9,10-bis(6-methoxynaphthalen-2-yl)anthracene |
| InChIKey | VEVBQRGODPIBNJ-UHFFFAOYSA-N |
| INCHI | 1S/C36H26O2/c1-37-29-17-15-23-19-27(13-11-25(23)21-29)35-31-7-3-5-9-33(31)36(34-10-6-4-8-32(34)35)28-14-12-26-22-30(38-2)18-16-24(26)20-28/h3-22H,1-2H3 |
| Isomeric SMILES | COC1=CC2=C(C=C1)C=C(C=C2)C3=C4C=CC=CC4=C(C5=CC=CC=C53)C6=CC7=C(C=C6)C=C(C=C7)OC |
| Molecular Weight | 490.6 |
| Reaxy-Rn | 30926522 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=30926522&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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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 Anisoles Alkyl aryl ethers Hydrocarbon derivatives |
| Molecular Framework | Aromatic homopolycyclic compounds |
| Substituents | Arylnaphthalene lignan skeleton - Anthracene - Phenol ether - Anisole - Alkyl aryl ether - Benzenoid - Ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - 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 | 490.600 g/mol |
|---|---|
| XLogP3 | 10.100 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 4 |
| Exact Mass | 490.193 Da |
| Monoisotopic Mass | 490.193 Da |
| Topological Polar Surface Area | 18.500 Ų |
| Heavy Atom Count | 38 |
| Formal Charge | 0 |
| Complexity | 691.000 |
| 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 |
