Bianthrone
PubChem CID: 67948
Connections displayed (default: 10).
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| Compound Synonyms | Bianthrone, 434-85-5, 10H,10'H-[9,9'-Bianthracenylidene]-10,10'-dione, Dehydrodianthrone, bisanthrone, 9(10H)-Anthracenone, 10-(10-oxo-9(10H)-anthracenylidene)-, .DELTA.10,10'-Bianthrone, 10-(10-oxoanthracen-9-ylidene)anthracen-9-one, EINECS 207-106-8, NSC 89778, NSC-89778, 56R67P666M, NSC-627656, bainthrone, DTXSID6059994, NSC627656, (.delta.9,9'(10H,10'H)-Bianthracene)-10,10'-dione, (delta9,9'(10H,10'H)-Bianthracene)-10,10'-dione, 10-(10-OXO-9(10H)-ANTHRACENYLIDENE)-9(10H)-ANTHRACENONE, 9,9'-bi-9(10H)-anthracenylidene-10,1'-dione, C28H16O2, 10-(10-oxo-9-anthrylidene)anthracen-9-one, UNII-56R67P666M, MFCD00001238, delta10,10'-Bianthrone, NCIOpen2_009646, delta(10,10')-bianthrone, SCHEMBL769933, DTXCID9040263, MGRRGKWPEVFJSH-UHFFFAOYSA-, 10-(10-oxoanthracen-9(10H)-ylidene)anthracen-9(10H)-one, NSC89778, STK367233, AKOS005443793, FB01399, AS-15385, [9,9']Bianthracenylidene-10,10'-dione, HY-136504, B0827, CS-0129899, NS00031346, A12525, [.DELTA.9,10'H)-Bianthracene]-10,10'-dione, Q27261425, (delta9,9'(10H,10'H)-Bianthracene)-10,10'-dione (8CI), InChI=1/C28H16O2/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/h1-16H |
|---|---|
| Topological Polar Surface Area | 34.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 30.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 630.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 10-(10-oxoanthracen-9-ylidene)anthracen-9-one |
| Prediction Hob | 0.0 |
| Xlogp | 5.7 |
| Molecular Formula | C28H16O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | MGRRGKWPEVFJSH-UHFFFAOYSA-N |
| Fcsp3 | 0.0 |
| Logs | -7.592 |
| Rotatable Bond Count | 0.0 |
| Logd | 3.975 |
| Compound Name | Bianthrone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 384.115 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 384.115 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 384.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -6.4190908 |
| Inchi | InChI=1S/C28H16O2/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/h1-16H |
| Smiles | C1=CC=C2C(=C1)C(=C3C4=CC=CC=C4C(=O)C5=CC=CC=C53)C6=CC=CC=C6C2=O |
| Nring | 6.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Psorospermum Febrifugum (Plant) Rel Props:Source_db:cmaup_ingredients