2-(6-fluoro-1H-indol-3-yl)-2-phenyl-1H-indol-3-one

C22H15FN2O — CID 146171487

IUPAC2-(6-fluoro-1H-indol-3-yl)-2-phenyl-1H-indol-3-one
SMILESO=C1c2ccccc2NC1(c1ccccc1)c1c[nH]c2cc(F)ccc12
InChIInChI=1S/C22H15FN2O/c23-15-10-11-16-18(13-24-20(16)12-15)22(14-6-2-1-3-7-14)21(26)17-8-4-5-9-19(17)25-22/h1-13,24-25H
InChIKeyPTLQALYGQWKSMB-UHFFFAOYSA-N
MW342.37 g/mol
LogP4.86
Rot. Bonds2

About 2-(6-fluoro-1H-indol-3-yl)-2-phenyl-1H-indol-3-one

2-(6-fluoro-1H-indol-3-yl)-2-phenyl-1H-indol-3-one (PubChem CID 146171487) has the molecular formula C22H15FN2O and a molecular weight of 342.37 g/mol. Its IUPAC name is 2-(6-fluoro-1H-indol-3-yl)-2-phenyl-1H-indol-3-one.

Molecular Properties

Compound Name2-(6-fluoro-1H-indol-3-yl)-2-phenyl-1H-indol-3-one
PubChem CID146171487
Molecular FormulaC22H15FN2O
Molecular Weight342.37 g/mol
Exact Mass342.12
IUPAC Name2-(6-fluoro-1H-indol-3-yl)-2-phenyl-1H-indol-3-one
SMILESO=C1c2ccccc2NC1(c1ccccc1)c1c[nH]c2cc(F)ccc12
InChIInChI=1S/C22H15FN2O/c23-15-10-11-16-18(13-24-20(16)12-15)22(14-6-2-1-3-7-14)21(26)17-8-4-5-9-19(17)25-22/h1-13,24-25H
InChIKeyPTLQALYGQWKSMB-UHFFFAOYSA-N
XLogP4.86
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-1H-indol-3-yl)-2-phenyl-1H-indol-3-one?
The IUPAC name of 2-(6-fluoro-1H-indol-3-yl)-2-phenyl-1H-indol-3-one (CID 146171487) is 2-(6-fluoro-1H-indol-3-yl)-2-phenyl-1H-indol-3-one.
What is the SMILES notation for 2-(6-fluoro-1H-indol-3-yl)-2-phenyl-1H-indol-3-one?
The canonical SMILES for 2-(6-fluoro-1H-indol-3-yl)-2-phenyl-1H-indol-3-one is O=C1c2ccccc2NC1(c1ccccc1)c1c[nH]c2cc(F)ccc12.
What is the InChIKey of 2-(6-fluoro-1H-indol-3-yl)-2-phenyl-1H-indol-3-one?
The InChIKey is PTLQALYGQWKSMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15FN2O/c23-15-10-11-16-18(13-24-20(16)12-15)22(14-6-2-1-3-7-14)21(26)17-8-4-5-9-19(17)25-22/h1-13,24-25H.
What are the key properties of 2-(6-fluoro-1H-indol-3-yl)-2-phenyl-1H-indol-3-one?
2-(6-fluoro-1H-indol-3-yl)-2-phenyl-1H-indol-3-one has a molecular weight of 342.37 g/mol, XLogP of 4.86, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-1H-indol-3-yl)-2-phenyl-1H-indol-3-one is sourced from PubChem (CID 146171487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).