| CAS Number | 342594-80-3 |
| Catalog Number | AG003AIN(AGN-PC-0KYQXO) |
| Chemical Name | 4-[Bis(2-methyl-1H-indol-3-yl)methyl]-2-methoxyphenol |
| IUPAC Name | 4-[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(17-12-13-22(29)23(14-17)30-3)25-16(2)28-21-11-7-5-9-19(21)25/h4-14,26-29H,1-3H3 |
| InChI Key | GXZXADANKQZZEF-UHFFFAOYSA-N |
| MDL Number | MFCD07784402 |
| Molecular Formula | C26H24N2O2 |
| Molecular Weight | 396.4810 |
| SMILES | CC=1NC2=CC=CC=C2C1C(C1=CC(=C(C=C1)O)OC)C1=C(NC2=CC=CC=C12)C |
| Synonyms | 4-[bis(2-methyl-1H-indol-3-yl)methyl]-2-methoxyphenol,
CBMicro_011902,
AC1MW79K,
AC1Q46A7,
SMSF0017942,
ZINC4155088,
STK095828,
AKOS000808853,
CB15401,
MCULE-5788663428,
BIM-0012148.P001,
ST45100185,
4-[bis(2-methylindol-3-yl)methyl]-2-methoxyphenol,
342594-80-3,
ZINC04155088,
CID3694961,
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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