2-(9H-fluoren-2-yl)isoindole-1,3-dione

C21H13NO2 — CID 1331291

IUPAC2-(9H-fluoren-2-yl)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C21H13NO2/c23-20-18-7-3-4-8-19(18)21(24)22(20)15-9-10-17-14(12-15)11-13-5-1-2-6-16(13)17/h1-10,12H,11H2
InChIKeyTVNMMGKLLFGUAU-UHFFFAOYSA-N
MW311.34 g/mol
LogP4.06
Rot. Bonds1

About 2-(9H-fluoren-2-yl)isoindole-1,3-dione

2-(9H-fluoren-2-yl)isoindole-1,3-dione (PubChem CID 1331291) has the molecular formula C21H13NO2 and a molecular weight of 311.34 g/mol. Its IUPAC name is 2-(9H-fluoren-2-yl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(9H-fluoren-2-yl)isoindole-1,3-dione
PubChem CID1331291
Molecular FormulaC21H13NO2
Molecular Weight311.34 g/mol
Exact Mass311.09
IUPAC Name2-(9H-fluoren-2-yl)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C21H13NO2/c23-20-18-7-3-4-8-19(18)21(24)22(20)15-9-10-17-14(12-15)11-13-5-1-2-6-16(13)17/h1-10,12H,11H2
InChIKeyTVNMMGKLLFGUAU-UHFFFAOYSA-N
XLogP4.06
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(9H-fluoren-2-yl)-1,2,4-triazole-3,5-dione
CID 12034266
2-(7-nitro-9H-fluoren-2-yl)isoindole-1,3-dione
CID 3874335
2-(2-hydroxy-2,3-dihydro-1H-inden-5-yl)isoindole-1,3-dione
CID 168519479
1-(4-bromophenyl)-3-(9H-fluoren-2-yl)-5-sulfanylideneimidazolidine-2,4-dione
CID 44516360
(3aR,4S,7S,7aR)-2-(9H-fluoren-2-yl)-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione
CID 98063722
2-(9H-fluoren-2-yl)-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione
CID 3669106
(3aS,4R,7R,7aS)-2-(9H-fluoren-2-yl)-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione
CID 124762904
2-[4-(1,3-dioxoisoindol-2-yl)phenyl]isoindole-1,3-dione
CID 632686
9H-fluorene;oxophosphane
CID 174601741
nonacyclo[18.14.0.03,18.04,16.06,14.08,13.021,33.023,31.025,30]tetratriaconta-1,3(18),4(16),5,8,10,12,14,19,21(33),22,25,27,29,31-pentadecaene
CID 59863436
2-(1-acetyl-2,3-dihydroindol-6-yl)isoindole-1,3-dione
CID 168516279
2-[4-(3-oxo-1H-isoindol-2-yl)phenyl]isoindole-1,3-dione
CID 168517450

Frequently Asked Questions

What is the IUPAC name of 2-(9H-fluoren-2-yl)isoindole-1,3-dione?
The IUPAC name of 2-(9H-fluoren-2-yl)isoindole-1,3-dione (CID 1331291) is 2-(9H-fluoren-2-yl)isoindole-1,3-dione.
What is the SMILES notation for 2-(9H-fluoren-2-yl)isoindole-1,3-dione?
The canonical SMILES for 2-(9H-fluoren-2-yl)isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1c1ccc2c(c1)Cc1ccccc1-2.
What is the InChIKey of 2-(9H-fluoren-2-yl)isoindole-1,3-dione?
The InChIKey is TVNMMGKLLFGUAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13NO2/c23-20-18-7-3-4-8-19(18)21(24)22(20)15-9-10-17-14(12-15)11-13-5-1-2-6-16(13)17/h1-10,12H,11H2.
What are the key properties of 2-(9H-fluoren-2-yl)isoindole-1,3-dione?
2-(9H-fluoren-2-yl)isoindole-1,3-dione has a molecular weight of 311.34 g/mol, XLogP of 4.06, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9H-fluoren-2-yl)isoindole-1,3-dione is sourced from PubChem (CID 1331291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).