6-bromo-3,3-diphenyl-1H-indol-2-one

C20H14BrNO — CID 11199308

IUPAC6-bromo-3,3-diphenyl-1H-indol-2-one
SMILESO=C1Nc2cc(Br)ccc2C1(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H14BrNO/c21-16-11-12-17-18(13-16)22-19(23)20(17,14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-13H,(H,22,23)
InChIKeyRRPPMYYVJZDQOA-UHFFFAOYSA-N
MW364.24 g/mol
LogP4.74
Rot. Bonds2

About 6-bromo-3,3-diphenyl-1H-indol-2-one

6-bromo-3,3-diphenyl-1H-indol-2-one (PubChem CID 11199308) has the molecular formula C20H14BrNO and a molecular weight of 364.24 g/mol. Its IUPAC name is 6-bromo-3,3-diphenyl-1H-indol-2-one.

Molecular Properties

Compound Name6-bromo-3,3-diphenyl-1H-indol-2-one
PubChem CID11199308
Molecular FormulaC20H14BrNO
Molecular Weight364.24 g/mol
Exact Mass363.03
IUPAC Name6-bromo-3,3-diphenyl-1H-indol-2-one
SMILESO=C1Nc2cc(Br)ccc2C1(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H14BrNO/c21-16-11-12-17-18(13-16)22-19(23)20(17,14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-13H,(H,22,23)
InChIKeyRRPPMYYVJZDQOA-UHFFFAOYSA-N
XLogP4.74
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.24
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 6-bromo-3,3-diphenyl-1H-indol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3,3-diphenyl-1H-indol-2-one?
The IUPAC name of 6-bromo-3,3-diphenyl-1H-indol-2-one (CID 11199308) is 6-bromo-3,3-diphenyl-1H-indol-2-one.
What is the SMILES notation for 6-bromo-3,3-diphenyl-1H-indol-2-one?
The canonical SMILES for 6-bromo-3,3-diphenyl-1H-indol-2-one is O=C1Nc2cc(Br)ccc2C1(c1ccccc1)c1ccccc1.
What is the InChIKey of 6-bromo-3,3-diphenyl-1H-indol-2-one?
The InChIKey is RRPPMYYVJZDQOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14BrNO/c21-16-11-12-17-18(13-16)22-19(23)20(17,14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-13H,(H,22,23).
What are the key properties of 6-bromo-3,3-diphenyl-1H-indol-2-one?
6-bromo-3,3-diphenyl-1H-indol-2-one has a molecular weight of 364.24 g/mol, XLogP of 4.74, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3,3-diphenyl-1H-indol-2-one is sourced from PubChem (CID 11199308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).