Dianthrone
PubChem CID: 97174
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| Compound Synonyms | BIANTHRONYL, 434-84-4, [9,9'-Bianthracene]-10,10'(9H,9'H)-dione, Dianthrone, 10,10'-Bianthrone, 10,10'-Bianthronyl, 10,10'-Dianthronyl, 9,9'-bianthracene-10,10'(9H,9'H)-dione, 10-(10-oxo-9H-anthracen-9-yl)-10H-anthracen-9-one, 10,10'-Dihydrobianthrone, PBH43F9Y7H, (9,9'-Bianthracene)-10,10'(9H,9'H)-dione, NSC627653, NSC 102943, NSC-102943, NSC-627653, UNII-PBH43F9Y7H, 10,10'-Dihydrodianthrone, SCHEMBL6903914, DTXSID80195842, (9,9'-Bianthracene)-10,10'(9H,9'H)-dione (8CI)(9CI), [9,10'(9H,9'H)-dione, MFCD00019128, NSC102943, STK063038, AKOS003617552, AS-87141, DB-051091, CS-0363250, D1389, D89849, 635-142-8 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 34.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1C2CCCCC2C(C2C3CCCCC3C(C)C3CCCCC32)C2CCCCC12 |
| Np Classifier Class | Anthraquinones and anthrones |
| Deep Smiles | O=Ccccccc6Ccc%10cccc6))))))Ccccccc6C=O)cc%10cccc6 |
| Heavy Atom Count | 30.0 |
| Classyfire Class | Anthracenes |
| Scaffold Graph Node Level | OC1C2CCCCC2C(C2C3CCCCC3C(O)C3CCCCC32)C2CCCCC12 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 572.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 10-(10-oxo-9H-anthracen-9-yl)-10H-anthracen-9-one |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 6.1 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C28H18O2 |
| Scaffold Graph Node Bond Level | O=C1c2ccccc2C(C2c3ccccc3C(=O)c3ccccc32)c2ccccc21 |
| Inchi Key | ZQXZUOJNJXNUEO-UHFFFAOYSA-N |
| Silicos It Class | Insoluble |
| Rotatable Bond Count | 1.0 |
| Synonyms | dianthrone |
| Esol Class | Poorly soluble |
| Functional Groups | cC(c)=O |
| Compound Name | Dianthrone |
| Exact Mass | 386.131 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 386.131 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 386.4 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C28H18O2/c29-27-21-13-5-1-9-17(21)25(18-10-2-6-14-22(18)27)26-19-11-3-7-15-23(19)28(30)24-16-8-4-12-20(24)26/h1-16,25-26H |
| Smiles | C1=CC=C2C(=C1)C(C3=CC=CC=C3C2=O)C4C5=CC=CC=C5C(=O)C6=CC=CC=C46 |
| Np Classifier Biosynthetic Pathway | Polyketides |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Polycyclic aromatic polyketides |
- 1. Outgoing r'ship
FOUND_INto/from Hypericum Perforatum (Plant) Rel Props:Reference:https://www.ncbi.nlm.nih.gov/pubmed/10522277 - 2. Outgoing r'ship
FOUND_INto/from Senna Alexandrina (Plant) Rel Props:Reference:ISBN:9788172363178