| CAS Number | 694453-72-0 |
| Catalog Number | AG003AIP(AGN-PC-0WGGOY) |
| Chemical Name | 5-[bis(2-methyl-1H-indol-3-yl)methyl]-2-methoxyphenol |
| IUPAC Name | 5-[bis(2-methyl-1H-indol-3-yl)methyl]-2-methoxyphenol |
| InChI | InChI=1S/C26H24N2O2/c1-15-24(18-8-4-6-10-20(18)27-15)26(17-12-13-23(30-3)22(29)14-17)25-16(2)28-21-11-7-5-9-19(21)25/h4-14,26-29H,1-3H3 |
| InChI Key | NPSKYHOPQNRGNE-UHFFFAOYSA-N |
| MDL Number | MFCD03999819 |
| Molecular Formula | C26H24N2O2 |
| Molecular Weight | 396.4810 |
| SMILES | CC=1NC2=CC=CC=C2C1C(C=1C=CC(=C(C1)O)OC)C1=C(NC2=CC=CC=C12)C |
| Synonyms | 5-[bis(2-methyl-1H-indol-3-yl)methyl]-2-methoxyphenol,
AC1MH187,
ZINC4986226,
STK521945,
AKOS000357373,
MCULE-9497808211,
Phenol, 5-[bis(2-methyl-1H-indol-3-yl)methyl]-2-methoxy-,
694453-72-0,
ZINC04986226,
CID2944654,
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| Complexity | 549 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 396.184g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 30 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 396.49g/mol |
| Monoisotopic Mass | 396.184g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 61A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 6 |
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Certificate of Analysis
Lot Number