2-(7-nitro-9H-fluoren-2-yl)isoindole-1,3-dione

C21H12N2O4 — CID 3874335

IUPAC2-(7-nitro-9H-fluoren-2-yl)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1c1ccc2c(c1)Cc1cc([N+](=O)[O-])ccc1-2
InChIInChI=1S/C21H12N2O4/c24-20-18-3-1-2-4-19(18)21(25)22(20)14-5-7-16-12(10-14)9-13-11-15(23(26)27)6-8-17(13)16/h1-8,10-11H,9H2
InChIKeyVMWDNAPCDNPWMI-UHFFFAOYSA-N
MW356.34 g/mol
LogP3.97
Rot. Bonds2

About 2-(7-nitro-9H-fluoren-2-yl)isoindole-1,3-dione

2-(7-nitro-9H-fluoren-2-yl)isoindole-1,3-dione (PubChem CID 3874335) has the molecular formula C21H12N2O4 and a molecular weight of 356.34 g/mol. Its IUPAC name is 2-(7-nitro-9H-fluoren-2-yl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(7-nitro-9H-fluoren-2-yl)isoindole-1,3-dione
PubChem CID3874335
Molecular FormulaC21H12N2O4
Molecular Weight356.34 g/mol
Exact Mass356.08
IUPAC Name2-(7-nitro-9H-fluoren-2-yl)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1c1ccc2c(c1)Cc1cc([N+](=O)[O-])ccc1-2
InChIInChI=1S/C21H12N2O4/c24-20-18-3-1-2-4-19(18)21(25)22(20)14-5-7-16-12(10-14)9-13-11-15(23(26)27)6-8-17(13)16/h1-8,10-11H,9H2
InChIKeyVMWDNAPCDNPWMI-UHFFFAOYSA-N
XLogP3.97
TPSA80.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.34
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 2-(7-nitro-9H-fluoren-2-yl)isoindole-1,3-dione with MolForge

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Related Compounds

2-(9H-fluoren-2-yl)isoindole-1,3-dione
CID 1331291
2,6-dinitro-9H-fluorene
CID 3582885
2-(2-hydroxy-2,3-dihydro-1H-inden-5-yl)isoindole-1,3-dione
CID 168519479
2-[3-hydroxy-4-[(2-hydroxy-4-nitrophenyl)diazenyl]phenyl]isoindole-1,3-dione
CID 136830770
2-[(2S)-5-nitro-2,3-dihydro-1H-inden-2-yl]isoindole-1,3-dione
CID 95608266
5-nitro-2-[2-(5-nitro-1,3-dioxoisoindol-2-yl)phenyl]isoindole-1,3-dione
CID 19370940
5-nitro-2-[4-[[4-(5-nitro-1,3-dioxoisoindol-2-yl)phenyl]-diphenylmethyl]phenyl]isoindole-1,3-dione
CID 17018691
2-(3,4-dimethoxyphenyl)-5-nitroisoindole-1,3-dione
CID 110168012
2-[3-(1,3-dioxo-2-phenylisoindol-5-yl)oxyphenyl]-5-nitroisoindole-1,3-dione
CID 1132321
2-(2-hydroxy-5-nitrophenyl)isoindole-1,3-dione
CID 132965088
2-(2-chloro-5-nitrophenyl)isoindole-1,3-dione
CID 677455
2-(3-chloro-4-nitrophenyl)isoindole-1,3-dione
CID 168515991

Frequently Asked Questions

What is the IUPAC name of 2-(7-nitro-9H-fluoren-2-yl)isoindole-1,3-dione?
The IUPAC name of 2-(7-nitro-9H-fluoren-2-yl)isoindole-1,3-dione (CID 3874335) is 2-(7-nitro-9H-fluoren-2-yl)isoindole-1,3-dione.
What is the SMILES notation for 2-(7-nitro-9H-fluoren-2-yl)isoindole-1,3-dione?
The canonical SMILES for 2-(7-nitro-9H-fluoren-2-yl)isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1c1ccc2c(c1)Cc1cc([N+](=O)[O-])ccc1-2.
What is the InChIKey of 2-(7-nitro-9H-fluoren-2-yl)isoindole-1,3-dione?
The InChIKey is VMWDNAPCDNPWMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12N2O4/c24-20-18-3-1-2-4-19(18)21(25)22(20)14-5-7-16-12(10-14)9-13-11-15(23(26)27)6-8-17(13)16/h1-8,10-11H,9H2.
What are the key properties of 2-(7-nitro-9H-fluoren-2-yl)isoindole-1,3-dione?
2-(7-nitro-9H-fluoren-2-yl)isoindole-1,3-dione has a molecular weight of 356.34 g/mol, XLogP of 3.97, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-nitro-9H-fluoren-2-yl)isoindole-1,3-dione is sourced from PubChem (CID 3874335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).