3'-fluorospiro[2H-isoindole-3,11'-benzo[b]fluorene]-1,5',10'-trione

C24H12FNO3 — CID 142745060

IUPAC3'-fluorospiro[2H-isoindole-3,11'-benzo[b]fluorene]-1,5',10'-trione
SMILESO=C1C2=C(C(=O)c3ccccc31)C1(NC(=O)c3ccccc31)c1ccc(F)cc12
InChIInChI=1S/C24H12FNO3/c25-12-9-10-18-16(11-12)19-20(22(28)14-6-2-1-5-13(14)21(19)27)24(18)17-8-4-3-7-15(17)23(29)26-24/h1-11H,(H,26,29)
InChIKeyFVHKIVIPGQDWNK-UHFFFAOYSA-N
MW381.36 g/mol
LogP3.66
Rot. Bonds

About 3'-fluorospiro[2H-isoindole-3,11'-benzo[b]fluorene]-1,5',10'-trione

3'-fluorospiro[2H-isoindole-3,11'-benzo[b]fluorene]-1,5',10'-trione (PubChem CID 142745060) has the molecular formula C24H12FNO3 and a molecular weight of 381.36 g/mol. Its IUPAC name is 3'-fluorospiro[2H-isoindole-3,11'-benzo[b]fluorene]-1,5',10'-trione.

Molecular Properties

Compound Name3'-fluorospiro[2H-isoindole-3,11'-benzo[b]fluorene]-1,5',10'-trione
PubChem CID142745060
Molecular FormulaC24H12FNO3
Molecular Weight381.36 g/mol
Exact Mass381.08
IUPAC Name3'-fluorospiro[2H-isoindole-3,11'-benzo[b]fluorene]-1,5',10'-trione
SMILESO=C1C2=C(C(=O)c3ccccc31)C1(NC(=O)c3ccccc31)c1ccc(F)cc12
InChIInChI=1S/C24H12FNO3/c25-12-9-10-18-16(11-12)19-20(22(28)14-6-2-1-5-13(14)21(19)27)24(18)17-8-4-3-7-15(17)23(29)26-24/h1-11H,(H,26,29)
InChIKeyFVHKIVIPGQDWNK-UHFFFAOYSA-N
XLogP3.66
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.36
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Related Compounds

13-Fluoro-9-azatetracyclo[8.7.0.0^{2,7}.0^{11,16}]heptadeca-1(10),2(7),3,5,11(16),12,14-heptaen-8-one
CID 25190931
14-Fluoro-9-azatetracyclo[8.7.0.0^{2,7}.0^{11,16}]heptadeca-1(10),2(7),3,5,11(16),12,14-heptaen-8-one
CID 25190932
4,10-Diphenylindeno[1,2-f]isoindole-1,3,9-trione
CID 73350853
5H-Indeno[1,2-c]isoquinoline-5,11(6H)-dione
CID 13802540
3'-chlorospiro[2H-isoindole-3,11'-5a,9a-dihydrobenzo[b]fluorene]-1,5',10'-trione
CID 171348398
spiro[2H-isoindole-3,11'-5a,9a-dihydrobenzo[b]fluorene]-1,5',10'-trione
CID 171348917
3-(1,1-difluoro-2-oxo-2-phenylethyl)-3-phenyl-2H-isoindol-1-one
CID 162410824
3-(1,1-difluoro-2-oxo-2-phenylethyl)-3-(4-methylphenyl)-2H-isoindol-1-one
CID 162410825
3-(1,1-difluoro-2-oxo-2-phenylethyl)-3-(3-methylphenyl)-2H-isoindol-1-one
CID 162410826
3-(1,1-difluoro-2-oxo-2-phenylethyl)-3-(2-methylphenyl)-2H-isoindol-1-one
CID 162410827
3-(1,1-difluoro-2-oxo-2-phenylethyl)-3-(4-ethylphenyl)-2H-isoindol-1-one
CID 162410828
3-(1,1-difluoro-2-oxo-2-phenylethyl)-3-(4-fluorophenyl)-2H-isoindol-1-one
CID 162410831

Frequently Asked Questions

What is the IUPAC name of 3'-fluorospiro[2H-isoindole-3,11'-benzo[b]fluorene]-1,5',10'-trione?
The IUPAC name of 3'-fluorospiro[2H-isoindole-3,11'-benzo[b]fluorene]-1,5',10'-trione (CID 142745060) is 3'-fluorospiro[2H-isoindole-3,11'-benzo[b]fluorene]-1,5',10'-trione.
What is the SMILES notation for 3'-fluorospiro[2H-isoindole-3,11'-benzo[b]fluorene]-1,5',10'-trione?
The canonical SMILES for 3'-fluorospiro[2H-isoindole-3,11'-benzo[b]fluorene]-1,5',10'-trione is O=C1C2=C(C(=O)c3ccccc31)C1(NC(=O)c3ccccc31)c1ccc(F)cc12.
What is the InChIKey of 3'-fluorospiro[2H-isoindole-3,11'-benzo[b]fluorene]-1,5',10'-trione?
The InChIKey is FVHKIVIPGQDWNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H12FNO3/c25-12-9-10-18-16(11-12)19-20(22(28)14-6-2-1-5-13(14)21(19)27)24(18)17-8-4-3-7-15(17)23(29)26-24/h1-11H,(H,26,29).
What are the key properties of 3'-fluorospiro[2H-isoindole-3,11'-benzo[b]fluorene]-1,5',10'-trione?
3'-fluorospiro[2H-isoindole-3,11'-benzo[b]fluorene]-1,5',10'-trione has a molecular weight of 381.36 g/mol, XLogP of 3.66, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-fluorospiro[2H-isoindole-3,11'-benzo[b]fluorene]-1,5',10'-trione is sourced from PubChem (CID 142745060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).