(10bR)-10b-phenyl-11H-isoindolo[2,1-a]indol-6-one

C21H15NO — CID 134953284

IUPAC(10bR)-10b-phenyl-11H-isoindolo[2,1-a]indol-6-one
SMILESO=C1c2ccccc2[C@]2(c3ccccc3)Cc3ccccc3N12
InChIInChI=1S/C21H15NO/c23-20-17-11-5-6-12-18(17)21(16-9-2-1-3-10-16)14-15-8-4-7-13-19(15)22(20)21/h1-13H,14H2/t21-/m1/s1
InChIKeyHEZHKZHRUQSNFP-OAQYLSRUSA-N
MW297.36 g/mol
LogP4.15
Rot. Bonds1

About (10bR)-10b-phenyl-11H-isoindolo[2,1-a]indol-6-one

(10bR)-10b-phenyl-11H-isoindolo[2,1-a]indol-6-one (PubChem CID 134953284) has the molecular formula C21H15NO and a molecular weight of 297.36 g/mol. Its IUPAC name is (10bR)-10b-phenyl-11H-isoindolo[2,1-a]indol-6-one.

Molecular Properties

Compound Name(10bR)-10b-phenyl-11H-isoindolo[2,1-a]indol-6-one
PubChem CID134953284
Molecular FormulaC21H15NO
Molecular Weight297.36 g/mol
Exact Mass297.12
IUPAC Name(10bR)-10b-phenyl-11H-isoindolo[2,1-a]indol-6-one
SMILESO=C1c2ccccc2[C@]2(c3ccccc3)Cc3ccccc3N12
InChIInChI=1S/C21H15NO/c23-20-17-11-5-6-12-18(17)21(16-9-2-1-3-10-16)14-15-8-4-7-13-19(15)22(20)21/h1-13H,14H2/t21-/m1/s1
InChIKeyHEZHKZHRUQSNFP-OAQYLSRUSA-N
XLogP4.15
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (10bR)-10b-phenyl-11H-isoindolo[2,1-a]indol-6-one?
The IUPAC name of (10bR)-10b-phenyl-11H-isoindolo[2,1-a]indol-6-one (CID 134953284) is (10bR)-10b-phenyl-11H-isoindolo[2,1-a]indol-6-one.
What is the SMILES notation for (10bR)-10b-phenyl-11H-isoindolo[2,1-a]indol-6-one?
The canonical SMILES for (10bR)-10b-phenyl-11H-isoindolo[2,1-a]indol-6-one is O=C1c2ccccc2[C@]2(c3ccccc3)Cc3ccccc3N12.
What is the InChIKey of (10bR)-10b-phenyl-11H-isoindolo[2,1-a]indol-6-one?
The InChIKey is HEZHKZHRUQSNFP-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H15NO/c23-20-17-11-5-6-12-18(17)21(16-9-2-1-3-10-16)14-15-8-4-7-13-19(15)22(20)21/h1-13H,14H2/t21-/m1/s1.
What are the key properties of (10bR)-10b-phenyl-11H-isoindolo[2,1-a]indol-6-one?
(10bR)-10b-phenyl-11H-isoindolo[2,1-a]indol-6-one has a molecular weight of 297.36 g/mol, XLogP of 4.15, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (10bR)-10b-phenyl-11H-isoindolo[2,1-a]indol-6-one is sourced from PubChem (CID 134953284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).