3,3'-Bis(2-(dimethylamino)ethyl)-1'H-(1,4'-biindol)-5'-ol
PubChem CID: 12972759
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| Compound Synonyms | Arundanine, 618852-71-4, DTXSID30514246, 3,3'-Bis[2-(dimethylamino)ethyl]-1'H-[1,4'-biindol]-5'-ol, 3-[2-(dimethylamino)ethyl]-4-[3-[2-(dimethylamino)ethyl]indol-1-yl]-1H-indol-5-ol, 3,3'-Bis(2-(dimethylamino)ethyl)-1'H-(1,4'-biindol)-5'-ol, 3-(2-(dimethylamino)ethyl)-4-(3-(2-(dimethylamino)ethyl)indol-1-yl)-1H-indol-5-ol, DTXCID40465053, HY-N11803, CS-0857256, G89034, 3-(N,N-dimethylaminoethyl)-4-[3-(N,N-dimethylaminoethyl)indole-1-yl]-5-hydroxyindole |
|---|---|
| Topological Polar Surface Area | 47.4 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 29.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 527.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-[2-(dimethylamino)ethyl]-4-[3-[2-(dimethylamino)ethyl]indol-1-yl]-1H-indol-5-ol |
| Prediction Hob | 1.0 |
| Xlogp | 4.0 |
| Molecular Formula | C24H30N4O |
| Prediction Swissadme | 1.0 |
| Inchi Key | CMWJUTZFSDKTAV-UHFFFAOYSA-N |
| Fcsp3 | 0.3333333333333333 |
| Logs | -2.816 |
| Rotatable Bond Count | 7.0 |
| Logd | 2.984 |
| Compound Name | 3,3'-Bis(2-(dimethylamino)ethyl)-1'H-(1,4'-biindol)-5'-ol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 390.242 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 390.242 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 390.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.797502544827587 |
| Inchi | InChI=1S/C24H30N4O/c1-26(2)13-11-17-15-25-20-9-10-22(29)24(23(17)20)28-16-18(12-14-27(3)4)19-7-5-6-8-21(19)28/h5-10,15-16,25,29H,11-14H2,1-4H3 |
| Smiles | CN(C)CCC1=CNC2=C1C(=C(C=C2)O)N3C=C(C4=CC=CC=C43)CCN(C)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Arundo Donax (Plant) Rel Props:Source_db:cmaup_ingredients