6-fluoro-1-(4-methylphenyl)-2-(2-phenylethynyl)indole

C23H16FN — CID 135017017

IUPAC6-fluoro-1-(4-methylphenyl)-2-(2-phenylethynyl)indole
SMILESCc1ccc(-n2c(C#Cc3ccccc3)cc3ccc(F)cc32)cc1
InChIInChI=1S/C23H16FN/c1-17-7-12-21(13-8-17)25-22(14-9-18-5-3-2-4-6-18)15-19-10-11-20(24)16-23(19)25/h2-8,10-13,15-16H,1H3
InChIKeyBVGPZHWPXIYVFG-UHFFFAOYSA-N
MW325.39 g/mol
LogP5.48
Rot. Bonds1

About 6-fluoro-1-(4-methylphenyl)-2-(2-phenylethynyl)indole

6-fluoro-1-(4-methylphenyl)-2-(2-phenylethynyl)indole (PubChem CID 135017017) has the molecular formula C23H16FN and a molecular weight of 325.39 g/mol. Its IUPAC name is 6-fluoro-1-(4-methylphenyl)-2-(2-phenylethynyl)indole.

Molecular Properties

Compound Name6-fluoro-1-(4-methylphenyl)-2-(2-phenylethynyl)indole
PubChem CID135017017
Molecular FormulaC23H16FN
Molecular Weight325.39 g/mol
Exact Mass325.13
IUPAC Name6-fluoro-1-(4-methylphenyl)-2-(2-phenylethynyl)indole
SMILESCc1ccc(-n2c(C#Cc3ccccc3)cc3ccc(F)cc32)cc1
InChIInChI=1S/C23H16FN/c1-17-7-12-21(13-8-17)25-22(14-9-18-5-3-2-4-6-18)15-19-10-11-20(24)16-23(19)25/h2-8,10-13,15-16H,1H3
InChIKeyBVGPZHWPXIYVFG-UHFFFAOYSA-N
XLogP5.48
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.39
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 6-fluoro-1-(4-methylphenyl)-2-(2-phenylethynyl)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

6-fluoro-1-phenyl-2-(2-phenylethynyl)indole
CID 135017015
1-phenyl-2-[2-[4-(trifluoromethyl)phenyl]ethynyl]indole
CID 53329005
5-methyl-1-(6-methyl-2-pyridinyl)-2-(2-phenylethynyl)indole
CID 132991869
ethane;1-methyl-4-(2-phenylethynyl)benzene
CID 91544809
2-bromo-6-fluoro-1-(4-fluorophenyl)indole
CID 141051925
6-fluoro-2-methyl-1-phenylbenzimidazole
CID 25216870
6-fluoro-1-(4-methylphenyl)-2-(trifluoromethyl)benzimidazole
CID 164670426
9-[4-[2-(4-carbazol-9-ylphenyl)ethynyl]phenyl]-2,7-dimethylcarbazole
CID 58771348
2-[2-[2,6-difluoro-4-[2-(4-methylphenyl)ethynyl]phenyl]ethynyl]-6-fluoronaphthalene
CID 139858937
1-(4-fluorophenyl)-2-(4-methylphenyl)benzimidazole
CID 95930125
9-(4-fluorophenyl)-2-methylcarbazole
CID 148964710
1,2-bis(4-methylphenyl)indole
CID 151814608

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1-(4-methylphenyl)-2-(2-phenylethynyl)indole?
The IUPAC name of 6-fluoro-1-(4-methylphenyl)-2-(2-phenylethynyl)indole (CID 135017017) is 6-fluoro-1-(4-methylphenyl)-2-(2-phenylethynyl)indole.
What is the SMILES notation for 6-fluoro-1-(4-methylphenyl)-2-(2-phenylethynyl)indole?
The canonical SMILES for 6-fluoro-1-(4-methylphenyl)-2-(2-phenylethynyl)indole is Cc1ccc(-n2c(C#Cc3ccccc3)cc3ccc(F)cc32)cc1.
What is the InChIKey of 6-fluoro-1-(4-methylphenyl)-2-(2-phenylethynyl)indole?
The InChIKey is BVGPZHWPXIYVFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16FN/c1-17-7-12-21(13-8-17)25-22(14-9-18-5-3-2-4-6-18)15-19-10-11-20(24)16-23(19)25/h2-8,10-13,15-16H,1H3.
What are the key properties of 6-fluoro-1-(4-methylphenyl)-2-(2-phenylethynyl)indole?
6-fluoro-1-(4-methylphenyl)-2-(2-phenylethynyl)indole has a molecular weight of 325.39 g/mol, XLogP of 5.48, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1-(4-methylphenyl)-2-(2-phenylethynyl)indole is sourced from PubChem (CID 135017017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).