5,6-dichlorospiro[2H-isoindole-3,11'-5a,9a-dihydrobenzo[b]fluorene]-1,5',10'-trione

C24H13Cl2NO3 — CID 171351568

IUPAC5,6-dichlorospiro[2H-isoindole-3,11'-5a,9a-dihydrobenzo[b]fluorene]-1,5',10'-trione
SMILESO=C1NC2(C3=C(C(=O)C4C=CC=CC4C3=O)c3ccccc32)c2cc(Cl)c(Cl)cc21
InChIInChI=1S/C24H13Cl2NO3/c25-17-9-14-16(10-18(17)26)24(27-23(14)30)15-8-4-3-7-13(15)19-20(24)22(29)12-6-2-1-5-11(12)21(19)28/h1-12H,(H,27,30)
InChIKeyOPKDJHXCXFYNEF-UHFFFAOYSA-N
MW434.28 g/mol
LogP4.26
Rot. Bonds

About 5,6-dichlorospiro[2H-isoindole-3,11'-5a,9a-dihydrobenzo[b]fluorene]-1,5',10'-trione

5,6-dichlorospiro[2H-isoindole-3,11'-5a,9a-dihydrobenzo[b]fluorene]-1,5',10'-trione (PubChem CID 171351568) has the molecular formula C24H13Cl2NO3 and a molecular weight of 434.28 g/mol. Its IUPAC name is 5,6-dichlorospiro[2H-isoindole-3,11'-5a,9a-dihydrobenzo[b]fluorene]-1,5',10'-trione.

Molecular Properties

Compound Name5,6-dichlorospiro[2H-isoindole-3,11'-5a,9a-dihydrobenzo[b]fluorene]-1,5',10'-trione
PubChem CID171351568
Molecular FormulaC24H13Cl2NO3
Molecular Weight434.28 g/mol
Exact Mass433.03
IUPAC Name5,6-dichlorospiro[2H-isoindole-3,11'-5a,9a-dihydrobenzo[b]fluorene]-1,5',10'-trione
SMILESO=C1NC2(C3=C(C(=O)C4C=CC=CC4C3=O)c3ccccc32)c2cc(Cl)c(Cl)cc21
InChIInChI=1S/C24H13Cl2NO3/c25-17-9-14-16(10-18(17)26)24(27-23(14)30)15-8-4-3-7-13(15)19-20(24)22(29)12-6-2-1-5-11(12)21(19)28/h1-12H,(H,27,30)
InChIKeyOPKDJHXCXFYNEF-UHFFFAOYSA-N
XLogP4.26
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.28
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5,6-dichlorospiro[2H-isoindole-3,11'-5a,9a-dihydrobenzo[b]fluorene]-1,5',10'-trione with MolForge

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Related Compounds

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-(4-chlorophenyl)-3-(1,1-difluoro-2-oxo-2-phenylethyl)-2H-isoindol-1-one
CID 162410832
3-(3-chlorophenyl)-3-(1,1-difluoro-2-oxo-2-phenylethyl)-2H-isoindol-1-one
CID 162410834
3-[2-(4-chlorophenyl)-1,1-difluoro-2-oxoethyl]-3-phenyl-2H-isoindol-1-one
CID 162410839
3-[1-(3,4-dichlorophenyl)but-3-enyl]-6-fluoro-3-methyl-2H-isoindol-1-one
CID 21839923
N-tert-butyl-2-[2-(3,4-dichlorophenyl)pent-4-enoyl]benzamide
CID 21839853
3-[1-(3,4-Dichlorophenyl)but-3-enyl]-2,3-dihydroisoindol-1-one
CID 21839867
5,6-Dichloro-2-tritylisoindole-1,3-dione
CID 66672467
5,6-Dichloroisoindole-1,3-dione;toluene
CID 67567664
(3E)-3-[1-(3,4-dichlorophenyl)but-3-enylidene]isoindol-1-one
CID 70127683
3-[1-(3,4-Dichlorophenyl)but-3-enylidene]isoindol-1-one
CID 70127684

Frequently Asked Questions

What is the IUPAC name of 5,6-dichlorospiro[2H-isoindole-3,11'-5a,9a-dihydrobenzo[b]fluorene]-1,5',10'-trione?
The IUPAC name of 5,6-dichlorospiro[2H-isoindole-3,11'-5a,9a-dihydrobenzo[b]fluorene]-1,5',10'-trione (CID 171351568) is 5,6-dichlorospiro[2H-isoindole-3,11'-5a,9a-dihydrobenzo[b]fluorene]-1,5',10'-trione.
What is the SMILES notation for 5,6-dichlorospiro[2H-isoindole-3,11'-5a,9a-dihydrobenzo[b]fluorene]-1,5',10'-trione?
The canonical SMILES for 5,6-dichlorospiro[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)c2cc(Cl)c(Cl)cc21.
What is the InChIKey of 5,6-dichlorospiro[2H-isoindole-3,11'-5a,9a-dihydrobenzo[b]fluorene]-1,5',10'-trione?
The InChIKey is OPKDJHXCXFYNEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H13Cl2NO3/c25-17-9-14-16(10-18(17)26)24(27-23(14)30)15-8-4-3-7-13(15)19-20(24)22(29)12-6-2-1-5-11(12)21(19)28/h1-12H,(H,27,30).
What are the key properties of 5,6-dichlorospiro[2H-isoindole-3,11'-5a,9a-dihydrobenzo[b]fluorene]-1,5',10'-trione?
5,6-dichlorospiro[2H-isoindole-3,11'-5a,9a-dihydrobenzo[b]fluorene]-1,5',10'-trione has a molecular weight of 434.28 g/mol, XLogP of 4.26, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichlorospiro[2H-isoindole-3,11'-5a,9a-dihydrobenzo[b]fluorene]-1,5',10'-trione is sourced from PubChem (CID 171351568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).