| CAS Number | 618406-17-0 |
| Catalog Number | AG003AIO(AGN-PC-0WGGP0) |
| Chemical Name | 2-[bis(2-methyl-1H-indol-3-yl)methyl]-6-methoxy-Phenol |
| IUPAC Name | 2-[bis(2-methyl-1H-indol-3-yl)methyl]-6-methoxyphenol |
| InChI | InChI=1S/C26H24N2O2/c1-15-23(17-9-4-6-12-20(17)27-15)25(19-11-8-14-22(30-3)26(19)29)24-16(2)28-21-13-7-5-10-18(21)24/h4-14,25,27-29H,1-3H3 |
| InChI Key | BUIRMZUAGJPYIN-UHFFFAOYSA-N |
| MDL Number | MFCD04065093 |
| Molecular Formula | C26H24N2O2 |
| Molecular Weight | 396.4810 |
| SMILES | CC=1NC2=CC=CC=C2C1C(C1=C(C(=CC=C1)OC)O)C1=C(NC2=CC=CC=C12)C |
| Synonyms | 2-[bis(2-methyl-1H-indol-3-yl)methyl]-6-methoxyphenol,
2-(bis(2-methyl-1H-indol-3-yl)methyl)-6-methoxyphenol,
618406-17-0,
AC1N8I8Y,
ZINC4536072,
STL487613,
AKOS000809087,
MCULE-5790956119,
ST50072917,
2-[bis(2-methylindol-3-yl)methyl]-6-methoxyphenol,
F1387-0043,
2-[bis(2-methyl-1H-indol-3-yl)methyl]-6-methoxy-Phenol,
ZINC04536072,
CID4344221,
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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
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