Home Aldehydes 25365-71-3
25365-71-3,MFCD00435481
Catalog No.:AA003HST
25365-71-3 | 2-Phenylindole-3-carboxaldehyde
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1g
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  • Technical Information
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  • Literature
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003HST
Chemical Name:
2-Phenylindole-3-carboxaldehyde
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
Computed 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  

Synonyms
 
2-phenylindole-3-carbaldehyde 
2-Phenyl-1H-indole-3-carbaldehyde 
AC1Q6PRH 
2-phenyl-3-formyl-indole 
3-formyl-2-phenyl indole 
AC1LD79Z 
Cambridge id 5402328 
ACMC-1CQ37 
CHEMBL447189 
SCHEMBL1429713 
2-Phenyl-3-indolecarboxaldehyde 
CTK4F5558 
25365-71-3 
ZINC61642 
DTXSID40346575 
ALBB-006196 
Indole-3-carboxaldehyde, 2-phenyl- 
2-phenyl-1h-indole-3-carboxaldehyde 
8453AD 
BBL022404 
SBB015756 
STK030688 
2-Phenyl-1H-indole-3-carbaldehyde # 
2-Phenylindole-3-carboxaldehyde 
AKOS000264927 
1H-Indole-3-carboxaldehyde,2-phenyl- 
2-Phenylindole-3-carboxaldehyde, 97% 
MCULE-3709376355 
VI30180 
KS-0000189P 
NCGC00322553-01 
AJ-09944 
BP-13034 
ZB002441 
2-Phenylindole-3-carbaldehyde 
AB0130383 
DB-046681 
ST4020055 
TR-011593 
A5120 
FT-0638510 
H8212 
P2273 
AB00084063-01 
AB00084063-04 
2-Phenyl-3-formylindole 
AB00084063-05 
SR-01000207917 
J-015958 
SR-01000207917-1 
I14-11514 
F2103-0020 
A0951/0044487 
C15H11NO 
CID613305 
ZINC00061642 
3-Formyl-2-phenylindole 
1159599-99-1 
1H-Indole-3-carboxaldehyde, 2-phenyl- 
IFIFXODAHZPTEY-UHFFFAOYSA-N 
MFCD00435481 
Literature

Title: Synthesis of 2-arylindole derivatives and evaluation as nitric oxide synthase and NFκB inhibitors.

Journal: Organic & biomolecular chemistry 20121128

Title: Structural findings of 2-phenylindole-3-carbaldehyde derivatives for antimitotic activity by FA-sMLR QSAR analysis.

Journal: Chemical biology & drug design 20100201

Title: CoMFA and docking studies of 2-phenylindole derivatives with anticancer activity.

Journal: European journal of medicinal chemistry 20090701

Title: Comparative QSAR modelling of 2-phenylindole-3-carbaldehyde derivatives as potential antimitotic agents.

Journal: Bioorganic & medicinal chemistry letters 20090315

Title: [(2-Phenylindol-3-yl)methylene]propanedinitriles inhibit the growth of breast cancer cells by cell cycle arrest in G(2)/M phase and apoptosis.

Journal: Bioorganic & medicinal chemistry 20071201

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