| CAS Number | 500017-70-9 |
| Catalog Number | AG00DB8E |
| Chemical Name | DC_517 |
| IUPAC Name | 1-[1,3-di(carbazol-9-yl)propan-2-yloxy]-3-(propan-2-ylamino)propan-2-ol |
| InChI | InChI=1S/C33H35N3O2/c1-23(2)34-19-24(37)22-38-25(20-35-30-15-7-3-11-26(30)27-12-4-8-16-31(27)35)21-36-32-17-9-5-13-28(32)29-14-6-10-18-33(29)36/h3-18,23-25,34,37H,19-22H2,1-2H3 |
| InChI Key | BLTONWSCODZCNA-UHFFFAOYSA-N |
| MDL Number | MFCD03085270 |
| Molecular Formula | C33H35N3O2 |
| Molecular Weight | 505.6499 |
| SMILES | C1C=CC2C3=CC=CC=C3N(CC(CN3C4C=CC=CC=4C4C=CC=CC3=4)OCC(O)CNC(C)C)C=2C=1 |
| Synonyms | DC_517,
500017-70-9,
CHEMBL3358028,
AC1MVU9P,
BDBM50031315,
DC-517,
AKOS030260544,
CS-4587,
MCULE-6385681341,
HY-12747,
1-[1,3-di(carbazol-9-yl)propan-2-yloxy]-3-(propan-2-ylamino)propan-2-ol,
1-((1,3-DI(9H-CARBAZOL-9-YL)PROPAN-2-YL)OXY)-3-(ISOPROPYLAMINO)PROPAN-2-OL,
1-[1-(9H-Carbazole-9-ylmethyl)-2-(9H-carbazole-9-yl)ethoxy]-3-(isopropylamino)-2-propanol,
CID3713657,
AP-614/41015876,
|
| Complexity | 654 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 505.273g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 38 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 505.662g/mol |
| Monoisotopic Mass | 505.273g/mol |
| Rotatable Bond Count | 10 |
| Topological Polar Surface Area | 51.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number