6-fluoro-2,3-diphenylindeno[2,1-b]pyrrol-4-one

C23H14FNO — CID 132542586

IUPAC6-fluoro-2,3-diphenylindeno[2,1-b]pyrrol-4-one
SMILESO=C1c2cc(F)ccc2-c2cc(-c3ccccc3)n(-c3ccccc3)c21
InChIInChI=1S/C23H14FNO/c24-16-11-12-18-19-14-21(15-7-3-1-4-8-15)25(17-9-5-2-6-10-17)22(19)23(26)20(18)13-16/h1-14H
InChIKeyNXLMPRLECNALAB-UHFFFAOYSA-N
MW339.37 g/mol
LogP5.49
Rot. Bonds2

About 6-fluoro-2,3-diphenylindeno[2,1-b]pyrrol-4-one

6-fluoro-2,3-diphenylindeno[2,1-b]pyrrol-4-one (PubChem CID 132542586) has the molecular formula C23H14FNO and a molecular weight of 339.37 g/mol. Its IUPAC name is 6-fluoro-2,3-diphenylindeno[2,1-b]pyrrol-4-one.

Molecular Properties

Compound Name6-fluoro-2,3-diphenylindeno[2,1-b]pyrrol-4-one
PubChem CID132542586
Molecular FormulaC23H14FNO
Molecular Weight339.37 g/mol
Exact Mass339.11
IUPAC Name6-fluoro-2,3-diphenylindeno[2,1-b]pyrrol-4-one
SMILESO=C1c2cc(F)ccc2-c2cc(-c3ccccc3)n(-c3ccccc3)c21
InChIInChI=1S/C23H14FNO/c24-16-11-12-18-19-14-21(15-7-3-1-4-8-15)25(17-9-5-2-6-10-17)22(19)23(26)20(18)13-16/h1-14H
InChIKeyNXLMPRLECNALAB-UHFFFAOYSA-N
XLogP5.49
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.37
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2,3-diphenylindeno[2,1-b]pyrrol-4-one?
The IUPAC name of 6-fluoro-2,3-diphenylindeno[2,1-b]pyrrol-4-one (CID 132542586) is 6-fluoro-2,3-diphenylindeno[2,1-b]pyrrol-4-one.
What is the SMILES notation for 6-fluoro-2,3-diphenylindeno[2,1-b]pyrrol-4-one?
The canonical SMILES for 6-fluoro-2,3-diphenylindeno[2,1-b]pyrrol-4-one is O=C1c2cc(F)ccc2-c2cc(-c3ccccc3)n(-c3ccccc3)c21.
What is the InChIKey of 6-fluoro-2,3-diphenylindeno[2,1-b]pyrrol-4-one?
The InChIKey is NXLMPRLECNALAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14FNO/c24-16-11-12-18-19-14-21(15-7-3-1-4-8-15)25(17-9-5-2-6-10-17)22(19)23(26)20(18)13-16/h1-14H.
What are the key properties of 6-fluoro-2,3-diphenylindeno[2,1-b]pyrrol-4-one?
6-fluoro-2,3-diphenylindeno[2,1-b]pyrrol-4-one has a molecular weight of 339.37 g/mol, XLogP of 5.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2,3-diphenylindeno[2,1-b]pyrrol-4-one is sourced from PubChem (CID 132542586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).