2-Phenylindole-3-carboxaldehyde - CAS 25365-71-3

Name: 2-Phenylindole-3-carboxaldehyde
Brand: BOC Sciences
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Catalog:	BB018881
Product Name:	2-Phenylindole-3-carboxaldehyde
CAS:	25365-71-3
Synonyms:	2-phenyl-1H-indole-3-carbaldehyde

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Computed Properties

IUPAC Name:	2-phenyl-1H-indole-3-carbaldehyde
Description:	2-Phenylindole-3-carboxaldehyde (CAS# 25365-71-3) is a useful research chemical.
Molecular Weight:	221.25
Molecular Formula:	C15H11NO
Canonical SMILES:	C1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2)C=O
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
Boiling Point:	462.9 °C at 760 mmHg
Melting Point:	249-253 °C
Purity:	95 %
Density:	1.237 g/cm³
Appearance:	Yellow to brown powder or crystals
MDL:	MFCD00435481
LogP:	3.64740

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Related Functional Groups

Carbonyl Compounds

[5650-34-0]C9H8O2
Oxiran-2-yl(phenyl)methanone
[1427004-19-0]C34H39N3O10
DBCO-PEG4-NHS ester
[1383427-98-2]C7H13ClN2O2
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[35153-16-3]C16H30O2
(Z)-10-Tetradecenyl Acetate
[253429-30-0]C12H16BrFO3
1-Bromo-2-(2,2-diethoxyethoxy)-4-fluorobenzene
[957292-12-5]C8H10N2O2
2-(3-Cyclopropyl-1H-pyrazol-1-yl)acetic acid

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
CN-110872365-A	Composition for encapsulating organic light emitting diode and organic light emitting diode display	20180830
JP-2020035743-A	Organic light emitting device sealing composition and organic light emitting device display including organic layer manufactured therefrom	20180830
KR-20200025550-A	Composition for encapsulating organic light emitting diodes and organic light emitting diodes display comprising organic layer prepared using the same	20180830
TW-202009270-A	Composition for encapsulation of organic light emitting diode and organic light emitting diode display	20180830
KR-102114389-B1	Novel sodium channel inhibitor compound, preparation method thereof, and pharmaceutical composition for prevention or treatment of sodium channel related diseases containing the same as an active ingredient	20180502

PMID	Publication Date	Title	Journal
23044819	20121128	Synthesis of 2-arylindole derivatives and evaluation as nitric oxide synthase and NFκB inhibitors	Organic & biomolecular chemistry
20028392	20100201	Structural findings of 2-phenylindole-3-carbaldehyde derivatives for antimitotic activity by FA-sMLR QSAR analysis	Chemical biology & drug design
19167135	20090701	CoMFA and docking studies of 2-phenylindole derivatives with anticancer activity	European journal of medicinal chemistry
19217281	20090315	Comparative QSAR modelling of 2-phenylindole-3-carbaldehyde derivatives as potential antimitotic agents	Bioorganic & medicinal chemistry letters
17889547	20071201	[(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

Complexity:	272
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	221.084063974
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	221.084063974
Rotatable Bond Count:	2
Topological Polar Surface Area:	32.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.2