(10bS)-10b-(4-fluorophenyl)-11H-isoindolo[2,1-a]indol-6-one

C21H14FNO — CID 135032726

IUPAC(10bS)-10b-(4-fluorophenyl)-11H-isoindolo[2,1-a]indol-6-one
SMILESO=C1c2ccccc2[C@@]2(c3ccc(F)cc3)Cc3ccccc3N12
InChIInChI=1S/C21H14FNO/c22-16-11-9-15(10-12-16)21-13-14-5-1-4-8-19(14)23(21)20(24)17-6-2-3-7-18(17)21/h1-12H,13H2/t21-/m0/s1
InChIKeyINOYNRJIKFQKDQ-NRFANRHFSA-N
MW315.35 g/mol
LogP4.29
Rot. Bonds1

About (10bS)-10b-(4-fluorophenyl)-11H-isoindolo[2,1-a]indol-6-one

(10bS)-10b-(4-fluorophenyl)-11H-isoindolo[2,1-a]indol-6-one (PubChem CID 135032726) has the molecular formula C21H14FNO and a molecular weight of 315.35 g/mol. Its IUPAC name is (10bS)-10b-(4-fluorophenyl)-11H-isoindolo[2,1-a]indol-6-one.

Molecular Properties

Compound Name(10bS)-10b-(4-fluorophenyl)-11H-isoindolo[2,1-a]indol-6-one
PubChem CID135032726
Molecular FormulaC21H14FNO
Molecular Weight315.35 g/mol
Exact Mass315.11
IUPAC Name(10bS)-10b-(4-fluorophenyl)-11H-isoindolo[2,1-a]indol-6-one
SMILESO=C1c2ccccc2[C@@]2(c3ccc(F)cc3)Cc3ccccc3N12
InChIInChI=1S/C21H14FNO/c22-16-11-9-15(10-12-16)21-13-14-5-1-4-8-19(14)23(21)20(24)17-6-2-3-7-18(17)21/h1-12H,13H2/t21-/m0/s1
InChIKeyINOYNRJIKFQKDQ-NRFANRHFSA-N
XLogP4.29
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

10b-phenyl-3,4-dihydro-1H-pyrido[2,1-a]isoindole-2,6-dione
CID 122228519
2,3a-dimethyl-4H-pyrrolo[1,2-a]indol-1-one
CID 12630190
(3R)-3-[(4-fluorophenyl)methyl]-3-hydroxy-2-methylisoindol-1-one
CID 139196663
(1R,2R,10R,11R)-1,2-bis(4-fluorophenyl)pentacyclo[9.7.0.02,10.03,8.013,18]octadeca-3,5,7,13,15,17-hexaene-9,12-dione
CID 139095972
9b-(3-fluorophenyl)-2,3-dihydro-1H-pyrrolo[2,1-a]isoindol-5-one
CID 67917975
11a-(4-chlorophenyl)-9-methoxy-11H-indolo[1,2-b]isoquinoline-6,12-dione
CID 172635698
6a-(2-chlorophenyl)-6H-isoindolo[2,1-a]quinazoline-5,11-dione
CID 134124391
5-(4-fluorophenyl)-4a-methyl-1,2,3,4-tetrahydropyrido[1,2-a]quinazolin-6-one
CID 139222368
9-(4-fluorophenyl)-9-methylfluorene
CID 71401006
3-butyl-3-(4-fluorophenyl)-2H-inden-1-one
CID 86051136
1'-(4-fluorophenyl)sulfonylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 155522284
9b-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]-2,3-dihydroimidazo[2,1-a]isoindol-5-one
CID 59025936

Frequently Asked Questions

What is the IUPAC name of (10bS)-10b-(4-fluorophenyl)-11H-isoindolo[2,1-a]indol-6-one?
The IUPAC name of (10bS)-10b-(4-fluorophenyl)-11H-isoindolo[2,1-a]indol-6-one (CID 135032726) is (10bS)-10b-(4-fluorophenyl)-11H-isoindolo[2,1-a]indol-6-one.
What is the SMILES notation for (10bS)-10b-(4-fluorophenyl)-11H-isoindolo[2,1-a]indol-6-one?
The canonical SMILES for (10bS)-10b-(4-fluorophenyl)-11H-isoindolo[2,1-a]indol-6-one is O=C1c2ccccc2[C@@]2(c3ccc(F)cc3)Cc3ccccc3N12.
What is the InChIKey of (10bS)-10b-(4-fluorophenyl)-11H-isoindolo[2,1-a]indol-6-one?
The InChIKey is INOYNRJIKFQKDQ-NRFANRHFSA-N. The full InChI is InChI=1S/C21H14FNO/c22-16-11-9-15(10-12-16)21-13-14-5-1-4-8-19(14)23(21)20(24)17-6-2-3-7-18(17)21/h1-12H,13H2/t21-/m0/s1.
What are the key properties of (10bS)-10b-(4-fluorophenyl)-11H-isoindolo[2,1-a]indol-6-one?
(10bS)-10b-(4-fluorophenyl)-11H-isoindolo[2,1-a]indol-6-one has a molecular weight of 315.35 g/mol, XLogP of 4.29, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (10bS)-10b-(4-fluorophenyl)-11H-isoindolo[2,1-a]indol-6-one is sourced from PubChem (CID 135032726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).