1-methoxy-9-[(1-methoxy-9H-carbazol-3-yl)methyl]-3-methylcarbazole
PubChem CID: 375158
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| Compound Synonyms | NSC654292, CHEMBL496078, NSC-654292, NCI60_018856 |
|---|---|
| Topological Polar Surface Area | 39.2 |
| Hydrogen Bond Donor Count | 1.0 |
| 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-9-[(1-methoxy-9H-carbazol-3-yl)methyl]-3-methylcarbazole |
| Prediction Hob | 1.0 |
| Xlogp | 6.7 |
| Molecular Formula | C28H24N2O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | BWIDIGNNLPIYNM-UHFFFAOYSA-N |
| Fcsp3 | 0.1428571428571428 |
| Logs | -7.37 |
| Rotatable Bond Count | 4.0 |
| Logd | 4.731 |
| Compound Name | 1-methoxy-9-[(1-methoxy-9H-carbazol-3-yl)methyl]-3-methylcarbazole |
| 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 | -7.0054244 |
| Inchi | InChI=1S/C28H24N2O2/c1-17-12-22-20-9-5-7-11-24(20)30(28(22)26(13-17)32-3)16-18-14-21-19-8-4-6-10-23(19)29-27(21)25(15-18)31-2/h4-15,29H,16H2,1-3H3 |
| Smiles | CC1=CC2=C(C(=C1)OC)N(C3=CC=CC=C32)CC4=CC5=C(C(=C4)OC)NC6=CC=CC=C65 |
| Nring | 6.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Murraya Euchrestifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all