3,3-bis(1-ethyl-2-methylindol-3-yl)-2-benzofuran-1-one - CAS 22091-92-5
Catalog: |
BB044207 |
Product Name: |
3,3-bis(1-ethyl-2-methylindol-3-yl)-2-benzofuran-1-one |
CAS: |
22091-92-5 |
Synonyms: |
3,3-Bis(1-ethyl-2-methyl-1H-indol-3-yl)phthalide; 1(3H)-Isobenzofuranone, 3,3-bis(1-ethyl-2-methyl-1H-indol-3-yl)-; 3,3-bis(1-ethyl-2-methyl-1h-indol-3-yl)-2-benzofuran-1(3h)-one |
Related CAS: | 109679-95-0 (Deleted CAS)
|
IUPAC Name: | 3,3-bis(1-ethyl-2-methylindol-3-yl)-2-benzofuran-1-one |
Description: | 3,3-bis(1-ethyl-2-methylindol-3-yl)-2-benzofuran-1-one is a useful research chemical. |
Molecular Weight: | 448.56 |
Molecular Formula: | C30H28N2O2 |
Canonical SMILES: | CCN1C(=C(C2=CC=CC=C21)C3(C4=CC=CC=C4C(=O)O3)C5=C(N(C6=CC=CC=C65)CC)C)C |
InChI: | InChI=1S/C30H28N2O2/c1-5-31-19(3)27(22-14-8-11-17-25(22)31)30(24-16-10-7-13-21(24)29(33)34-30)28-20(4)32(6-2)26-18-12-9-15-23(26)28/h7-18H,5-6H2,1-4H3 |
InChI Key: | CONFUNYOPVYVDC-UHFFFAOYSA-N |
Purity: | 95% |
Complexity: | 727 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 448.21507814 |
Formal Charge: | 0 |
Heavy Atom Count: | 34 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 448.21507814 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 36.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 6.1 |
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