2-(9H-fluoren-1-yl)-3-oxo-1H-indene-2-carbonitrile

C23H15NO — CID 162516878

IUPAC2-(9H-fluoren-1-yl)-3-oxo-1H-indene-2-carbonitrile
SMILESN#CC1(c2cccc3c2Cc2ccccc2-3)Cc2ccccc2C1=O
InChIInChI=1S/C23H15NO/c24-14-23(13-16-7-2-4-9-18(16)22(23)25)21-11-5-10-19-17-8-3-1-6-15(17)12-20(19)21/h1-11H,12-13H2
InChIKeyVWPSIYBVPDNWBY-UHFFFAOYSA-N
MW321.38 g/mol
LogP4.46
Rot. Bonds1

About 2-(9H-fluoren-1-yl)-3-oxo-1H-indene-2-carbonitrile

2-(9H-fluoren-1-yl)-3-oxo-1H-indene-2-carbonitrile (PubChem CID 162516878) has the molecular formula C23H15NO and a molecular weight of 321.38 g/mol. Its IUPAC name is 2-(9H-fluoren-1-yl)-3-oxo-1H-indene-2-carbonitrile.

Molecular Properties

Compound Name2-(9H-fluoren-1-yl)-3-oxo-1H-indene-2-carbonitrile
PubChem CID162516878
Molecular FormulaC23H15NO
Molecular Weight321.38 g/mol
Exact Mass321.12
IUPAC Name2-(9H-fluoren-1-yl)-3-oxo-1H-indene-2-carbonitrile
SMILESN#CC1(c2cccc3c2Cc2ccccc2-3)Cc2ccccc2C1=O
InChIInChI=1S/C23H15NO/c24-14-23(13-16-7-2-4-9-18(16)22(23)25)21-11-5-10-19-17-8-3-1-6-15(17)12-20(19)21/h1-11H,12-13H2
InChIKeyVWPSIYBVPDNWBY-UHFFFAOYSA-N
XLogP4.46
TPSA40.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(9H-fluoren-1-yl)-9H-fluorene
CID 19077838
1-(1-adamantyl)-9H-fluorene
CID 141137518
Fluorenylsilane
CID 22104606
3-(9H-fluoren-1-yl)benzene-1,2-dicarbonitrile
CID 141495090
1-[2,3,4,5,6-pentakis(9H-fluoren-1-yl)phenyl]-9H-fluorene
CID 141308542
3-(9H-fluoren-1-yl)-3-hydroxy-2-phenylisoindol-1-one
CID 71327705
4-(9H-fluoren-1-yl)benzonitrile
CID 154389455
CID 123562270
CID 123562270
2-(2-methyl-3-oxo-1H-inden-2-yl)acetonitrile
CID 122218044
5-(9H-fluoren-1-yl)benzene-1,3-dicarbonitrile
CID 172779632
(2R)-2-fluoro-2-(2-methylphenyl)-3H-inden-1-one
CID 134956870
1-(9H-fluoren-1-yl)anthracene-9,10-dione
CID 141480667

Frequently Asked Questions

What is the IUPAC name of 2-(9H-fluoren-1-yl)-3-oxo-1H-indene-2-carbonitrile?
The IUPAC name of 2-(9H-fluoren-1-yl)-3-oxo-1H-indene-2-carbonitrile (CID 162516878) is 2-(9H-fluoren-1-yl)-3-oxo-1H-indene-2-carbonitrile.
What is the SMILES notation for 2-(9H-fluoren-1-yl)-3-oxo-1H-indene-2-carbonitrile?
The canonical SMILES for 2-(9H-fluoren-1-yl)-3-oxo-1H-indene-2-carbonitrile is N#CC1(c2cccc3c2Cc2ccccc2-3)Cc2ccccc2C1=O.
What is the InChIKey of 2-(9H-fluoren-1-yl)-3-oxo-1H-indene-2-carbonitrile?
The InChIKey is VWPSIYBVPDNWBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15NO/c24-14-23(13-16-7-2-4-9-18(16)22(23)25)21-11-5-10-19-17-8-3-1-6-15(17)12-20(19)21/h1-11H,12-13H2.
What are the key properties of 2-(9H-fluoren-1-yl)-3-oxo-1H-indene-2-carbonitrile?
2-(9H-fluoren-1-yl)-3-oxo-1H-indene-2-carbonitrile has a molecular weight of 321.38 g/mol, XLogP of 4.46, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9H-fluoren-1-yl)-3-oxo-1H-indene-2-carbonitrile is sourced from PubChem (CID 162516878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).