spiro[2H-isoindole-3,11'-5a,9a-dihydrobenzo[b]fluorene]-1,5',10'-trione

C24H15NO3 — CID 171348917

IUPACspiro[2H-isoindole-3,11'-5a,9a-dihydrobenzo[b]fluorene]-1,5',10'-trione
SMILESO=C1NC2(C3=C(C(=O)C4C=CC=CC4C3=O)c3ccccc32)c2ccccc21
InChIInChI=1S/C24H15NO3/c26-21-13-7-1-2-8-14(13)22(27)20-19(21)15-9-3-5-11-17(15)24(20)18-12-6-4-10-16(18)23(28)25-24/h1-14H,(H,25,28)
InChIKeyWKWGXQNWVSLESH-UHFFFAOYSA-N
MW365.39 g/mol
LogP2.95
Rot. Bonds

About spiro[2H-isoindole-3,11'-5a,9a-dihydrobenzo[b]fluorene]-1,5',10'-trione

spiro[2H-isoindole-3,11'-5a,9a-dihydrobenzo[b]fluorene]-1,5',10'-trione (PubChem CID 171348917) has the molecular formula C24H15NO3 and a molecular weight of 365.39 g/mol. Its IUPAC name is spiro[2H-isoindole-3,11'-5a,9a-dihydrobenzo[b]fluorene]-1,5',10'-trione.

Molecular Properties

Compound Namespiro[2H-isoindole-3,11'-5a,9a-dihydrobenzo[b]fluorene]-1,5',10'-trione
PubChem CID171348917
Molecular FormulaC24H15NO3
Molecular Weight365.39 g/mol
Exact Mass365.11
IUPAC Namespiro[2H-isoindole-3,11'-5a,9a-dihydrobenzo[b]fluorene]-1,5',10'-trione
SMILESO=C1NC2(C3=C(C(=O)C4C=CC=CC4C3=O)c3ccccc32)c2ccccc21
InChIInChI=1S/C24H15NO3/c26-21-13-7-1-2-8-14(13)22(27)20-19(21)15-9-3-5-11-17(15)24(20)18-12-6-4-10-16(18)23(28)25-24/h1-14H,(H,25,28)
InChIKeyWKWGXQNWVSLESH-UHFFFAOYSA-N
XLogP2.95
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze spiro[2H-isoindole-3,11'-5a,9a-dihydrobenzo[b]fluorene]-1,5',10'-trione with MolForge

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Related Compounds

5,6-dihydro-5-oxo-11H-indeno [1,2-c]isoquinoline
CID 10105388
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
5,6-dichlorospiro[2H-isoindole-3,11'-5a,9a-dihydrobenzo[b]fluorene]-1,5',10'-trione
CID 171351568
6,7-Dihydro-5H-indeno[2,1-c]isoquinolin-5-one
CID 16085565
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
3-[1,1-difluoro-2-(4-methylphenyl)-2-oxoethyl]-3-phenyl-2H-isoindol-1-one
CID 162410836

Frequently Asked Questions

What is the IUPAC name of spiro[2H-isoindole-3,11'-5a,9a-dihydrobenzo[b]fluorene]-1,5',10'-trione?
The IUPAC name of spiro[2H-isoindole-3,11'-5a,9a-dihydrobenzo[b]fluorene]-1,5',10'-trione (CID 171348917) is spiro[2H-isoindole-3,11'-5a,9a-dihydrobenzo[b]fluorene]-1,5',10'-trione.
What is the SMILES notation for spiro[2H-isoindole-3,11'-5a,9a-dihydrobenzo[b]fluorene]-1,5',10'-trione?
The canonical SMILES for spiro[2H-isoindole-3,11'-5a,9a-dihydrobenzo[b]fluorene]-1,5',10'-trione is O=C1NC2(C3=C(C(=O)C4C=CC=CC4C3=O)c3ccccc32)c2ccccc21.
What is the InChIKey of spiro[2H-isoindole-3,11'-5a,9a-dihydrobenzo[b]fluorene]-1,5',10'-trione?
The InChIKey is WKWGXQNWVSLESH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15NO3/c26-21-13-7-1-2-8-14(13)22(27)20-19(21)15-9-3-5-11-17(15)24(20)18-12-6-4-10-16(18)23(28)25-24/h1-14H,(H,25,28).
What are the key properties of spiro[2H-isoindole-3,11'-5a,9a-dihydrobenzo[b]fluorene]-1,5',10'-trione?
spiro[2H-isoindole-3,11'-5a,9a-dihydrobenzo[b]fluorene]-1,5',10'-trione has a molecular weight of 365.39 g/mol, XLogP of 2.95, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[2H-isoindole-3,11'-5a,9a-dihydrobenzo[b]fluorene]-1,5',10'-trione is sourced from PubChem (CID 171348917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).