6-fluoro-1-phenyl-2-(2-phenylethynyl)indole

C22H14FN — CID 135017015

IUPAC6-fluoro-1-phenyl-2-(2-phenylethynyl)indole
SMILESFc1ccc2cc(C#Cc3ccccc3)n(-c3ccccc3)c2c1
InChIInChI=1S/C22H14FN/c23-19-13-12-18-15-21(14-11-17-7-3-1-4-8-17)24(22(18)16-19)20-9-5-2-6-10-20/h1-10,12-13,15-16H
InChIKeyFJCXKIIJPAILFW-UHFFFAOYSA-N
MW311.36 g/mol
LogP5.17
Rot. Bonds1

About 6-fluoro-1-phenyl-2-(2-phenylethynyl)indole

6-fluoro-1-phenyl-2-(2-phenylethynyl)indole (PubChem CID 135017015) has the molecular formula C22H14FN and a molecular weight of 311.36 g/mol. Its IUPAC name is 6-fluoro-1-phenyl-2-(2-phenylethynyl)indole.

Molecular Properties

Compound Name6-fluoro-1-phenyl-2-(2-phenylethynyl)indole
PubChem CID135017015
Molecular FormulaC22H14FN
Molecular Weight311.36 g/mol
Exact Mass311.11
IUPAC Name6-fluoro-1-phenyl-2-(2-phenylethynyl)indole
SMILESFc1ccc2cc(C#Cc3ccccc3)n(-c3ccccc3)c2c1
InChIInChI=1S/C22H14FN/c23-19-13-12-18-15-21(14-11-17-7-3-1-4-8-17)24(22(18)16-19)20-9-5-2-6-10-20/h1-10,12-13,15-16H
InChIKeyFJCXKIIJPAILFW-UHFFFAOYSA-N
XLogP5.17
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.36
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-fluoro-1-(4-methylphenyl)-2-(2-phenylethynyl)indole
CID 135017017
1-phenyl-2-[2-[4-(trifluoromethyl)phenyl]ethynyl]indole
CID 53329005
2-bromo-6-fluoro-1-(4-fluorophenyl)indole
CID 141051925
6-fluoro-2-methyl-1-phenylbenzimidazole
CID 25216870
3,6-difluoro-10-phenylacridin-9-one
CID 156785373
9-phenyl-3-(2-phenylethynyl)carbazole
CID 162470888
5-fluoro-2-(2-phenylethynyl)benzaldehyde
CID 46237651
2-(6-fluoro-1-phenylbenzimidazol-2-yl)ethanamine
CID 83421083
2-phenylethynylbenzene;dihydrochloride
CID 174927104
2-phenylethynylbenzene;hydrofluoride
CID 158259923
5-methyl-1-(6-methyl-2-pyridinyl)-2-(2-phenylethynyl)indole
CID 132991869
6-chloro-2-fluoro-9-phenylcarbazole
CID 142744719

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1-phenyl-2-(2-phenylethynyl)indole?
The IUPAC name of 6-fluoro-1-phenyl-2-(2-phenylethynyl)indole (CID 135017015) is 6-fluoro-1-phenyl-2-(2-phenylethynyl)indole.
What is the SMILES notation for 6-fluoro-1-phenyl-2-(2-phenylethynyl)indole?
The canonical SMILES for 6-fluoro-1-phenyl-2-(2-phenylethynyl)indole is Fc1ccc2cc(C#Cc3ccccc3)n(-c3ccccc3)c2c1.
What is the InChIKey of 6-fluoro-1-phenyl-2-(2-phenylethynyl)indole?
The InChIKey is FJCXKIIJPAILFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14FN/c23-19-13-12-18-15-21(14-11-17-7-3-1-4-8-17)24(22(18)16-19)20-9-5-2-6-10-20/h1-10,12-13,15-16H.
What are the key properties of 6-fluoro-1-phenyl-2-(2-phenylethynyl)indole?
6-fluoro-1-phenyl-2-(2-phenylethynyl)indole has a molecular weight of 311.36 g/mol, XLogP of 5.17, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1-phenyl-2-(2-phenylethynyl)indole is sourced from PubChem (CID 135017015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).