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

C24H14ClNO3 — CID 171348398

IUPAC3'-chlorospiro[2H-isoindole-3,11'-5a,9a-dihydrobenzo[b]fluorene]-1,5',10'-trione
SMILESO=C1NC2(C3=C(C(=O)C4C=CC=CC4C3=O)c3cc(Cl)ccc32)c2ccccc21
InChIInChI=1S/C24H14ClNO3/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/h1-11,13-14H,(H,26,29)
InChIKeyPCFFMJBMEWQPLC-UHFFFAOYSA-N
MW399.83 g/mol
LogP3.60
Rot. Bonds

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

3'-chlorospiro[2H-isoindole-3,11'-5a,9a-dihydrobenzo[b]fluorene]-1,5',10'-trione (PubChem CID 171348398) has the molecular formula C24H14ClNO3 and a molecular weight of 399.83 g/mol. Its IUPAC name is 3'-chlorospiro[2H-isoindole-3,11'-5a,9a-dihydrobenzo[b]fluorene]-1,5',10'-trione.

Molecular Properties

Compound Name3'-chlorospiro[2H-isoindole-3,11'-5a,9a-dihydrobenzo[b]fluorene]-1,5',10'-trione
PubChem CID171348398
Molecular FormulaC24H14ClNO3
Molecular Weight399.83 g/mol
Exact Mass399.07
IUPAC Name3'-chlorospiro[2H-isoindole-3,11'-5a,9a-dihydrobenzo[b]fluorene]-1,5',10'-trione
SMILESO=C1NC2(C3=C(C(=O)C4C=CC=CC4C3=O)c3cc(Cl)ccc32)c2ccccc21
InChIInChI=1S/C24H14ClNO3/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/h1-11,13-14H,(H,26,29)
InChIKeyPCFFMJBMEWQPLC-UHFFFAOYSA-N
XLogP3.60
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.83
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

N-(1-Adamantyl)-4-chlorophthalimide
CID 477702
spiro[2H-isoindole-3,11'-5a,9a-dihydrobenzo[b]fluorene]-1,5',10'-trione
CID 171348917
5,6-dichlorospiro[2H-isoindole-3,11'-5a,9a-dihydrobenzo[b]fluorene]-1,5',10'-trione
CID 171351568
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-[2-(3,5-dichlorophenyl)-1,1-difluoro-2-oxoethyl]-3-phenyl-2H-isoindol-1-one
CID 162410843
3-[2-(3,5-dichlorophenyl)-1,1-difluoro-2-oxoethyl]-3-(4-fluorophenyl)-2H-isoindol-1-one
CID 162410846
N-(t-butyl)-2-(p-chlorobenzoyl)benzamide
CID 12253149
p-Chlorophenylphthalimide
CID 129883512
3'-fluorospiro[2H-isoindole-3,11'-benzo[b]fluorene]-1,5',10'-trione
CID 142745060
5-Chloro-8-methyl-6H-6,8a-ethenobenz[cd]indol-2(1H)-one
CID 12751693

Frequently Asked Questions

What is the IUPAC name of 3'-chlorospiro[2H-isoindole-3,11'-5a,9a-dihydrobenzo[b]fluorene]-1,5',10'-trione?
The IUPAC name of 3'-chlorospiro[2H-isoindole-3,11'-5a,9a-dihydrobenzo[b]fluorene]-1,5',10'-trione (CID 171348398) is 3'-chlorospiro[2H-isoindole-3,11'-5a,9a-dihydrobenzo[b]fluorene]-1,5',10'-trione.
What is the SMILES notation for 3'-chlorospiro[2H-isoindole-3,11'-5a,9a-dihydrobenzo[b]fluorene]-1,5',10'-trione?
The canonical SMILES for 3'-chlorospiro[2H-isoindole-3,11'-5a,9a-dihydrobenzo[b]fluorene]-1,5',10'-trione is O=C1NC2(C3=C(C(=O)C4C=CC=CC4C3=O)c3cc(Cl)ccc32)c2ccccc21.
What is the InChIKey of 3'-chlorospiro[2H-isoindole-3,11'-5a,9a-dihydrobenzo[b]fluorene]-1,5',10'-trione?
The InChIKey is PCFFMJBMEWQPLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14ClNO3/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/h1-11,13-14H,(H,26,29).
What are the key properties of 3'-chlorospiro[2H-isoindole-3,11'-5a,9a-dihydrobenzo[b]fluorene]-1,5',10'-trione?
3'-chlorospiro[2H-isoindole-3,11'-5a,9a-dihydrobenzo[b]fluorene]-1,5',10'-trione has a molecular weight of 399.83 g/mol, XLogP of 3.60, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-chlorospiro[2H-isoindole-3,11'-5a,9a-dihydrobenzo[b]fluorene]-1,5',10'-trione is sourced from PubChem (CID 171348398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).