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

C22H17NO — CID 134961503

IUPAC(10bS)-10b-(4-methylphenyl)-11H-isoindolo[2,1-a]indol-6-one
SMILESCc1ccc([C@]23Cc4ccccc4N2C(=O)c2ccccc23)cc1
InChIInChI=1S/C22H17NO/c1-15-10-12-17(13-11-15)22-14-16-6-2-5-9-20(16)23(22)21(24)18-7-3-4-8-19(18)22/h2-13H,14H2,1H3/t22-/m0/s1
InChIKeyZLBMPMCYMZQGPX-QFIPXVFZSA-N
MW311.38 g/mol
LogP4.46
Rot. Bonds1

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

(10bS)-10b-(4-methylphenyl)-11H-isoindolo[2,1-a]indol-6-one (PubChem CID 134961503) has the molecular formula C22H17NO and a molecular weight of 311.38 g/mol. Its IUPAC name is (10bS)-10b-(4-methylphenyl)-11H-isoindolo[2,1-a]indol-6-one.

Molecular Properties

Compound Name(10bS)-10b-(4-methylphenyl)-11H-isoindolo[2,1-a]indol-6-one
PubChem CID134961503
Molecular FormulaC22H17NO
Molecular Weight311.38 g/mol
Exact Mass311.13
IUPAC Name(10bS)-10b-(4-methylphenyl)-11H-isoindolo[2,1-a]indol-6-one
SMILESCc1ccc([C@]23Cc4ccccc4N2C(=O)c2ccccc23)cc1
InChIInChI=1S/C22H17NO/c1-15-10-12-17(13-11-15)22-14-16-6-2-5-9-20(16)23(22)21(24)18-7-3-4-8-19(18)22/h2-13H,14H2,1H3/t22-/m0/s1
InChIKeyZLBMPMCYMZQGPX-QFIPXVFZSA-N
XLogP4.46
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (10bS)-10b-(4-methylphenyl)-11H-isoindolo[2,1-a]indol-6-one?
The IUPAC name of (10bS)-10b-(4-methylphenyl)-11H-isoindolo[2,1-a]indol-6-one (CID 134961503) is (10bS)-10b-(4-methylphenyl)-11H-isoindolo[2,1-a]indol-6-one.
What is the SMILES notation for (10bS)-10b-(4-methylphenyl)-11H-isoindolo[2,1-a]indol-6-one?
The canonical SMILES for (10bS)-10b-(4-methylphenyl)-11H-isoindolo[2,1-a]indol-6-one is Cc1ccc([C@]23Cc4ccccc4N2C(=O)c2ccccc23)cc1.
What is the InChIKey of (10bS)-10b-(4-methylphenyl)-11H-isoindolo[2,1-a]indol-6-one?
The InChIKey is ZLBMPMCYMZQGPX-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H17NO/c1-15-10-12-17(13-11-15)22-14-16-6-2-5-9-20(16)23(22)21(24)18-7-3-4-8-19(18)22/h2-13H,14H2,1H3/t22-/m0/s1.
What are the key properties of (10bS)-10b-(4-methylphenyl)-11H-isoindolo[2,1-a]indol-6-one?
(10bS)-10b-(4-methylphenyl)-11H-isoindolo[2,1-a]indol-6-one has a molecular weight of 311.38 g/mol, XLogP of 4.46, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (10bS)-10b-(4-methylphenyl)-11H-isoindolo[2,1-a]indol-6-one is sourced from PubChem (CID 134961503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).