3-(3-amino-2-methylphenyl)-1-(4-ethylphenyl)indole-5-carbonitrile

C24H21N3 — CID 155067598

IUPAC3-(3-amino-2-methylphenyl)-1-(4-ethylphenyl)indole-5-carbonitrile
SMILESCCc1ccc(-n2cc(-c3cccc(N)c3C)c3cc(C#N)ccc32)cc1
InChIInChI=1S/C24H21N3/c1-3-17-7-10-19(11-8-17)27-15-22(20-5-4-6-23(26)16(20)2)21-13-18(14-25)9-12-24(21)27/h4-13,15H,3,26H2,1-2H3
InChIKeyCLGXFRAEFFOOGD-UHFFFAOYSA-N
MW351.45 g/mol
LogP5.62
Rot. Bonds3

About 3-(3-amino-2-methylphenyl)-1-(4-ethylphenyl)indole-5-carbonitrile

3-(3-amino-2-methylphenyl)-1-(4-ethylphenyl)indole-5-carbonitrile (PubChem CID 155067598) has the molecular formula C24H21N3 and a molecular weight of 351.45 g/mol. Its IUPAC name is 3-(3-amino-2-methylphenyl)-1-(4-ethylphenyl)indole-5-carbonitrile.

Molecular Properties

Compound Name3-(3-amino-2-methylphenyl)-1-(4-ethylphenyl)indole-5-carbonitrile
PubChem CID155067598
Molecular FormulaC24H21N3
Molecular Weight351.45 g/mol
Exact Mass351.17
IUPAC Name3-(3-amino-2-methylphenyl)-1-(4-ethylphenyl)indole-5-carbonitrile
SMILESCCc1ccc(-n2cc(-c3cccc(N)c3C)c3cc(C#N)ccc32)cc1
InChIInChI=1S/C24H21N3/c1-3-17-7-10-19(11-8-17)27-15-22(20-5-4-6-23(26)16(20)2)21-13-18(14-25)9-12-24(21)27/h4-13,15H,3,26H2,1-2H3
InChIKeyCLGXFRAEFFOOGD-UHFFFAOYSA-N
XLogP5.62
TPSA54.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.45
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[5-amino-3-(3-amino-2-methylphenyl)indol-1-yl]benzonitrile
CID 155067650
3-(3-amino-2-methylphenyl)-1-(4-hydroxycyclohexyl)indole-5-carbonitrile
CID 138489645
7-[3-(3-amino-2-methylphenyl)-5-cyanoindol-1-yl]-N-hydroxyheptanamide
CID 175529779
3-(3-amino-2-methylphenyl)-2-methylaniline
CID 15336123
3-(3-aminophenyl)-1-[(4-cyanophenyl)methyl]indole-5-carbonitrile
CID 137375939
ethyl 4-[3-cyano-5-(methylsulfonylmethyl)indol-1-yl]benzoate
CID 58437251
3-(3-amino-2-methylphenyl)-6-fluoro-1-(4-hydroxycyclohexyl)indole-5-carbonitrile
CID 137375981
3-[(3-amino-2-methylphenyl)sulfanylmethyl]benzonitrile
CID 79144003
9-methylcarbazole-1,6-dicarbonitrile
CID 122501071
4-ethylbenzonitrile;fluoromethane
CID 143083977
1-(4-ethylphenyl)-6-nitroindole-3-carbonitrile
CID 160992721
9-[6-(3,6-dicyanocarbazol-9-yl)-9,10-dinaphthalen-1-ylanthracen-2-yl]carbazole-3,6-dicarbonitrile
CID 89064644

Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-2-methylphenyl)-1-(4-ethylphenyl)indole-5-carbonitrile?
The IUPAC name of 3-(3-amino-2-methylphenyl)-1-(4-ethylphenyl)indole-5-carbonitrile (CID 155067598) is 3-(3-amino-2-methylphenyl)-1-(4-ethylphenyl)indole-5-carbonitrile.
What is the SMILES notation for 3-(3-amino-2-methylphenyl)-1-(4-ethylphenyl)indole-5-carbonitrile?
The canonical SMILES for 3-(3-amino-2-methylphenyl)-1-(4-ethylphenyl)indole-5-carbonitrile is CCc1ccc(-n2cc(-c3cccc(N)c3C)c3cc(C#N)ccc32)cc1.
What is the InChIKey of 3-(3-amino-2-methylphenyl)-1-(4-ethylphenyl)indole-5-carbonitrile?
The InChIKey is CLGXFRAEFFOOGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3/c1-3-17-7-10-19(11-8-17)27-15-22(20-5-4-6-23(26)16(20)2)21-13-18(14-25)9-12-24(21)27/h4-13,15H,3,26H2,1-2H3.
What are the key properties of 3-(3-amino-2-methylphenyl)-1-(4-ethylphenyl)indole-5-carbonitrile?
3-(3-amino-2-methylphenyl)-1-(4-ethylphenyl)indole-5-carbonitrile has a molecular weight of 351.45 g/mol, XLogP of 5.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-2-methylphenyl)-1-(4-ethylphenyl)indole-5-carbonitrile is sourced from PubChem (CID 155067598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).