3-[2-nitro-1-[3-(trifluoromethyl)phenyl]ethyl]-2-phenyl-1H-indole

C23H17F3N2O2 — CID 162656098

IUPAC3-[2-nitro-1-[3-(trifluoromethyl)phenyl]ethyl]-2-phenyl-1H-indole
SMILESO=[N+]([O-])CC(c1cccc(C(F)(F)F)c1)c1c(-c2ccccc2)[nH]c2ccccc12
InChIInChI=1S/C23H17F3N2O2/c24-23(25,26)17-10-6-9-16(13-17)19(14-28(29)30)21-18-11-4-5-12-20(18)27-22(21)15-7-2-1-3-8-15/h1-13,19,27H,14H2
InChIKeyJSHSNUYOBHZEBV-UHFFFAOYSA-N
MW410.40 g/mol
LogP6.26
Rot. Bonds5

About 3-[2-nitro-1-[3-(trifluoromethyl)phenyl]ethyl]-2-phenyl-1H-indole

3-[2-nitro-1-[3-(trifluoromethyl)phenyl]ethyl]-2-phenyl-1H-indole (PubChem CID 162656098) has the molecular formula C23H17F3N2O2 and a molecular weight of 410.40 g/mol. Its IUPAC name is 3-[2-nitro-1-[3-(trifluoromethyl)phenyl]ethyl]-2-phenyl-1H-indole.

Molecular Properties

Compound Name3-[2-nitro-1-[3-(trifluoromethyl)phenyl]ethyl]-2-phenyl-1H-indole
PubChem CID162656098
Molecular FormulaC23H17F3N2O2
Molecular Weight410.40 g/mol
Exact Mass410.12
IUPAC Name3-[2-nitro-1-[3-(trifluoromethyl)phenyl]ethyl]-2-phenyl-1H-indole
SMILESO=[N+]([O-])CC(c1cccc(C(F)(F)F)c1)c1c(-c2ccccc2)[nH]c2ccccc12
InChIInChI=1S/C23H17F3N2O2/c24-23(25,26)17-10-6-9-16(13-17)19(14-28(29)30)21-18-11-4-5-12-20(18)27-22(21)15-7-2-1-3-8-15/h1-13,19,27H,14H2
InChIKeyJSHSNUYOBHZEBV-UHFFFAOYSA-N
XLogP6.26
TPSA58.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.40
LogP ≤ 56.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-[2-nitro-1-[3-(trifluoromethyl)phenyl]ethyl]-2-phenyl-1H-indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-fluorophenyl)-3-(2-nitro-1-phenylethyl)-1H-indole
CID 71623048
3-[2-nitro-1-(1H-pyrrol-2-yl)ethyl]-2-phenyl-1H-indole
CID 162649835
2-(4-methoxyphenyl)-3-[(1S)-1-(4-methoxyphenyl)-2-nitroethyl]-1H-indole
CID 1144826
3-[1-(3,4-dimethoxyphenyl)-2-nitroethyl]-2-(4-methylphenyl)-1H-indole
CID 3478948
3-[(1R)-2-nitro-1-pyridin-2-ylethyl]-2-phenyl-1H-indole
CID 71605070
3-[1-[3-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-2-nitroethyl]-2-phenyl-1H-indole
CID 172635083
3-[(1S)-1-(1,3-benzodioxol-5-yl)-2-nitroethyl]-2-(4-methylphenyl)-1H-indole
CID 1226521
2-[2-nitro-1-(2-phenyl-1H-indol-3-yl)ethyl]-1,3-thiazole
CID 162658918
2-(1-benzofuran-2-yl)-3-(2-nitro-1-phenylethyl)-1H-indole
CID 166633424
2-(4-chlorophenyl)-3-[1-(4-methoxyphenyl)-2-nitroethyl]-1H-indole
CID 5004056
2-nitro-1-[3-(trifluoromethyl)phenyl]ethanamine;hydrochloride
CID 68646447
2-(4-chlorophenyl)-3-[(1S)-1-(furan-2-yl)-2-nitroethyl]-1H-indole
CID 1185471

Frequently Asked Questions

What is the IUPAC name of 3-[2-nitro-1-[3-(trifluoromethyl)phenyl]ethyl]-2-phenyl-1H-indole?
The IUPAC name of 3-[2-nitro-1-[3-(trifluoromethyl)phenyl]ethyl]-2-phenyl-1H-indole (CID 162656098) is 3-[2-nitro-1-[3-(trifluoromethyl)phenyl]ethyl]-2-phenyl-1H-indole.
What is the SMILES notation for 3-[2-nitro-1-[3-(trifluoromethyl)phenyl]ethyl]-2-phenyl-1H-indole?
The canonical SMILES for 3-[2-nitro-1-[3-(trifluoromethyl)phenyl]ethyl]-2-phenyl-1H-indole is O=[N+]([O-])CC(c1cccc(C(F)(F)F)c1)c1c(-c2ccccc2)[nH]c2ccccc12.
What is the InChIKey of 3-[2-nitro-1-[3-(trifluoromethyl)phenyl]ethyl]-2-phenyl-1H-indole?
The InChIKey is JSHSNUYOBHZEBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F3N2O2/c24-23(25,26)17-10-6-9-16(13-17)19(14-28(29)30)21-18-11-4-5-12-20(18)27-22(21)15-7-2-1-3-8-15/h1-13,19,27H,14H2.
What are the key properties of 3-[2-nitro-1-[3-(trifluoromethyl)phenyl]ethyl]-2-phenyl-1H-indole?
3-[2-nitro-1-[3-(trifluoromethyl)phenyl]ethyl]-2-phenyl-1H-indole has a molecular weight of 410.40 g/mol, XLogP of 6.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-nitro-1-[3-(trifluoromethyl)phenyl]ethyl]-2-phenyl-1H-indole is sourced from PubChem (CID 162656098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).