(6R)-2-(4-bromophenyl)-6-phenyl-1-(4-propan-2-ylphenyl)-6,7-dihydro-5H-indol-4-one

C29H26BrNO — CID 51386912

IUPAC(6R)-2-(4-bromophenyl)-6-phenyl-1-(4-propan-2-ylphenyl)-6,7-dihydro-5H-indol-4-one
SMILESCC(C)c1ccc(-n2c(-c3ccc(Br)cc3)cc3c2C[C@@H](c2ccccc2)CC3=O)cc1
InChIInChI=1S/C29H26BrNO/c1-19(2)20-10-14-25(15-11-20)31-27(22-8-12-24(30)13-9-22)18-26-28(31)16-23(17-29(26)32)21-6-4-3-5-7-21/h3-15,18-19,23H,16-17H2,1-2H3/t23-/m1/s1
InChIKeyDQOXDSKOVALGFU-HSZRJFAPSA-N
MW484.44 g/mol
LogP7.94
Rot. Bonds4

About (6R)-2-(4-bromophenyl)-6-phenyl-1-(4-propan-2-ylphenyl)-6,7-dihydro-5H-indol-4-one

(6R)-2-(4-bromophenyl)-6-phenyl-1-(4-propan-2-ylphenyl)-6,7-dihydro-5H-indol-4-one (PubChem CID 51386912) has the molecular formula C29H26BrNO and a molecular weight of 484.44 g/mol. Its IUPAC name is (6R)-2-(4-bromophenyl)-6-phenyl-1-(4-propan-2-ylphenyl)-6,7-dihydro-5H-indol-4-one.

Molecular Properties

Compound Name(6R)-2-(4-bromophenyl)-6-phenyl-1-(4-propan-2-ylphenyl)-6,7-dihydro-5H-indol-4-one
PubChem CID51386912
Molecular FormulaC29H26BrNO
Molecular Weight484.44 g/mol
Exact Mass483.12
IUPAC Name(6R)-2-(4-bromophenyl)-6-phenyl-1-(4-propan-2-ylphenyl)-6,7-dihydro-5H-indol-4-one
SMILESCC(C)c1ccc(-n2c(-c3ccc(Br)cc3)cc3c2C[C@@H](c2ccccc2)CC3=O)cc1
InChIInChI=1S/C29H26BrNO/c1-19(2)20-10-14-25(15-11-20)31-27(22-8-12-24(30)13-9-22)18-26-28(31)16-23(17-29(26)32)21-6-4-3-5-7-21/h3-15,18-19,23H,16-17H2,1-2H3/t23-/m1/s1
InChIKeyDQOXDSKOVALGFU-HSZRJFAPSA-N
XLogP7.94
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.44
LogP ≤ 57.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_B(29)', 'substructure': 'N/A'}

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Related Compounds

(6S)-2-(4-bromophenyl)-1-(4-methoxyphenyl)-6-phenyl-6,7-dihydro-5H-indol-4-one
CID 51664969
2-(4-bromophenyl)-6-methyl-1-(4-propan-2-ylphenyl)-6,7-dihydro-5H-indol-4-one
CID 5065017
2-(4-bromophenyl)-1-(4-ethoxyphenyl)-6-phenyl-6,7-dihydro-5H-indol-4-one
CID 4073969
(7R)-1-(4-chlorophenyl)-2,5-dioxo-7-phenyl-7,8-dihydro-6H-quinoline-3-carbonitrile
CID 92867606
2,6-dimethyl-1-(4-propan-2-ylphenyl)-6,7-dihydro-5H-indol-4-one
CID 4530144
(5Z)-5-[[1-(4-bromophenyl)-2,5-diphenylpyrrol-3-yl]methylidene]-1-(4-propan-2-ylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 126252991
1-benzyl-3-(4-bromophenyl)-2-methyl-6-phenyl-6,7-dihydro-5H-indol-4-one
CID 135012644
4-[2-(4-bromophenyl)-6,6-dimethyl-4-oxo-5,7-dihydroindol-1-yl]benzenesulfonamide
CID 4031441
8-(4-propan-2-ylphenyl)-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one
CID 66506072
4-[2-(4-propan-2-ylphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]pyrrol-1-yl]benzoic acid
CID 53212873
(3R)-5-(4-bromophenyl)-2-phenyl-3-(4-propan-2-ylphenyl)-3,4-dihydropyrazole
CID 7290397
1-(4,6-dimethylpyrimidin-2-yl)-6-(4-propan-2-ylphenyl)-6,7-dihydro-5H-indazol-4-one
CID 4888861

Frequently Asked Questions

What is the IUPAC name of (6R)-2-(4-bromophenyl)-6-phenyl-1-(4-propan-2-ylphenyl)-6,7-dihydro-5H-indol-4-one?
The IUPAC name of (6R)-2-(4-bromophenyl)-6-phenyl-1-(4-propan-2-ylphenyl)-6,7-dihydro-5H-indol-4-one (CID 51386912) is (6R)-2-(4-bromophenyl)-6-phenyl-1-(4-propan-2-ylphenyl)-6,7-dihydro-5H-indol-4-one.
What is the SMILES notation for (6R)-2-(4-bromophenyl)-6-phenyl-1-(4-propan-2-ylphenyl)-6,7-dihydro-5H-indol-4-one?
The canonical SMILES for (6R)-2-(4-bromophenyl)-6-phenyl-1-(4-propan-2-ylphenyl)-6,7-dihydro-5H-indol-4-one is CC(C)c1ccc(-n2c(-c3ccc(Br)cc3)cc3c2C[C@@H](c2ccccc2)CC3=O)cc1.
What is the InChIKey of (6R)-2-(4-bromophenyl)-6-phenyl-1-(4-propan-2-ylphenyl)-6,7-dihydro-5H-indol-4-one?
The InChIKey is DQOXDSKOVALGFU-HSZRJFAPSA-N. The full InChI is InChI=1S/C29H26BrNO/c1-19(2)20-10-14-25(15-11-20)31-27(22-8-12-24(30)13-9-22)18-26-28(31)16-23(17-29(26)32)21-6-4-3-5-7-21/h3-15,18-19,23H,16-17H2,1-2H3/t23-/m1/s1.
What are the key properties of (6R)-2-(4-bromophenyl)-6-phenyl-1-(4-propan-2-ylphenyl)-6,7-dihydro-5H-indol-4-one?
(6R)-2-(4-bromophenyl)-6-phenyl-1-(4-propan-2-ylphenyl)-6,7-dihydro-5H-indol-4-one has a molecular weight of 484.44 g/mol, XLogP of 7.94, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-2-(4-bromophenyl)-6-phenyl-1-(4-propan-2-ylphenyl)-6,7-dihydro-5H-indol-4-one is sourced from PubChem (CID 51386912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).