1-methoxy-4-[(1-methoxy-9H-carbazol-3-yl)methyl]-3-methyl-9H-carbazole
PubChem CID: 375159
Connections displayed (default: 10).
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| Compound Synonyms | NSC654293, CHEMBL524067, NSC-654293, NCI60_018857 |
|---|---|
| Topological Polar Surface Area | 50.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 32.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 657.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | n.a. |
| Iupac Name | 1-methoxy-4-[(1-methoxy-9H-carbazol-3-yl)methyl]-3-methyl-9H-carbazole |
| Prediction Hob | 1.0 |
| Xlogp | 7.1 |
| Molecular Formula | C28H24N2O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | DOOBXUMQHNVKJS-UHFFFAOYSA-N |
| Fcsp3 | 0.1428571428571428 |
| Logs | -6.945 |
| Rotatable Bond Count | 4.0 |
| Logd | 4.691 |
| Compound Name | 1-methoxy-4-[(1-methoxy-9H-carbazol-3-yl)methyl]-3-methyl-9H-carbazole |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 420.184 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 420.184 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 420.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -7.244824400000001 |
| Inchi | InChI=1S/C28H24N2O2/c1-16-12-24(31-2)28-26(19-9-5-7-11-23(19)30-28)20(16)13-17-14-21-18-8-4-6-10-22(18)29-27(21)25(15-17)32-3/h4-12,14-15,29-30H,13H2,1-3H3 |
| Smiles | CC1=CC(=C2C(=C1CC3=CC4=C(C(=C3)OC)NC5=CC=CC=C54)C6=CC=CC=C6N2)OC |
| Nring | 6.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Clausena Euchrestifolia (Plant) Rel Props:Reference: - 2. Outgoing r'ship
FOUND_INto/from Murraya Alata (Plant) Rel Props:Reference: - 3. Outgoing r'ship
FOUND_INto/from Murraya Crenulata (Plant) Rel Props:Reference: - 4. Outgoing r'ship
FOUND_INto/from Murraya Elongata (Plant) Rel Props:Reference: - 5. Outgoing r'ship
FOUND_INto/from Murraya Euchrestifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Murraya Exotica (Plant) Rel Props:Reference: - 7. Outgoing r'ship
FOUND_INto/from Murraya Koenigii (Plant) Rel Props:Reference: - 8. Outgoing r'ship
FOUND_INto/from Murraya Kwangsiensis (Plant) Rel Props:Reference: - 9. Outgoing r'ship
FOUND_INto/from Murraya Microphylla (Plant) Rel Props:Reference: - 10. Outgoing r'ship
FOUND_INto/from Murraya Paniculata (Plant) Rel Props:Reference: - 11. Outgoing r'ship
FOUND_INto/from Murraya Siamensis (Plant) Rel Props:Reference: