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25365-71-3 | 2-Phenyl-1H-indole-3-carbaldehyde
CAS No: 25365-71-3 Catalog No: AG003HVL MDL No:MFCD00435481
Product Description
Catalog Number:
AG003HVL
Chemical Name:
2-Phenyl-1H-indole-3-carbaldehyde
CAS Number:
25365-71-3
Molecular Formula:
C15H11NO
Molecular Weight:
221.2539
MDL Number:
MFCD00435481
IUPAC Name:
2-phenyl-1H-indole-3-carbaldehyde
InChI:
InChI=1S/C15H11NO/c17-10-13-12-8-4-5-9-14(12)16-15(13)11-6-2-1-3-7-11/h1-10,16H
InChI Key:
IFIFXODAHZPTEY-UHFFFAOYSA-N
SMILES:
O=Cc1c([nH]c2c1cccc2)c1ccccc1
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.084g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
221.259g/mol
Monoisotopic Mass:
221.084g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
32.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
Literature
| Title | Journal |
|---|---|
| Synthesis of 2-arylindole derivatives and evaluation as nitric oxide synthase and NFκB inhibitors. | Organic & biomolecular chemistry 20121128 |
| Structural findings of 2-phenylindole-3-carbaldehyde derivatives for antimitotic activity by FA-sMLR QSAR analysis. | Chemical biology & drug design 20100201 |
| CoMFA and docking studies of 2-phenylindole derivatives with anticancer activity. | European journal of medicinal chemistry 20090701 |
| Comparative QSAR modelling of 2-phenylindole-3-carbaldehyde derivatives as potential antimitotic agents. | Bioorganic & medicinal chemistry letters 20090315 |
| [(2-Phenylindol-3-yl)methylene]propanedinitriles inhibit the growth of breast cancer cells by cell cycle arrest in G(2)/M phase and apoptosis. | Bioorganic & medicinal chemistry 20071201 |
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