2-(4-bromophenyl)-4-phenylindeno[1,2-b]pyridin-5-one

C24H14BrNO — CID 167529339

IUPAC2-(4-bromophenyl)-4-phenylindeno[1,2-b]pyridin-5-one
SMILESO=C1c2ccccc2-c2nc(-c3ccc(Br)cc3)cc(-c3ccccc3)c21
InChIInChI=1S/C24H14BrNO/c25-17-12-10-16(11-13-17)21-14-20(15-6-2-1-3-7-15)22-23(26-21)18-8-4-5-9-19(18)24(22)27/h1-14H
InChIKeyWIBKDOPILSRPGE-UHFFFAOYSA-N
MW412.29 g/mol
LogP6.39
Rot. Bonds2

About 2-(4-bromophenyl)-4-phenylindeno[1,2-b]pyridin-5-one

2-(4-bromophenyl)-4-phenylindeno[1,2-b]pyridin-5-one (PubChem CID 167529339) has the molecular formula C24H14BrNO and a molecular weight of 412.29 g/mol. Its IUPAC name is 2-(4-bromophenyl)-4-phenylindeno[1,2-b]pyridin-5-one.

Molecular Properties

Compound Name2-(4-bromophenyl)-4-phenylindeno[1,2-b]pyridin-5-one
PubChem CID167529339
Molecular FormulaC24H14BrNO
Molecular Weight412.29 g/mol
Exact Mass411.03
IUPAC Name2-(4-bromophenyl)-4-phenylindeno[1,2-b]pyridin-5-one
SMILESO=C1c2ccccc2-c2nc(-c3ccc(Br)cc3)cc(-c3ccccc3)c21
InChIInChI=1S/C24H14BrNO/c25-17-12-10-16(11-13-17)21-14-20(15-6-2-1-3-7-15)22-23(26-21)18-8-4-5-9-19(18)24(22)27/h1-14H
InChIKeyWIBKDOPILSRPGE-UHFFFAOYSA-N
XLogP6.39
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.29
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_phenone_A(11)', 'substructure': 'N/A'}

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Related Compounds

11H-Indeno[1,2-b]quinolin-11-one
CID 245882
2-Methyl-5-oxo-4-phenyl-5H-indeno[1,2-b]pyridine-3-carbonitrile
CID 752980
1,3-Diphenyl-4-azafluorenone
CID 630508
2-(4-Chlorophenyl)-4-phenylindeno[1,2-b]pyridin-5-one
CID 167529328
2-(2-Bromophenyl)-4-phenylindeno[1,2-b]pyridin-5-one
CID 167529338
2-(3-Bromophenyl)-4-phenylindeno[1,2-b]pyridin-5-one
CID 167529340
4-Phenyl-2-[2-(trifluoromethyl)phenyl]indeno[1,2-b]pyridin-5-one
CID 167529325
4-Phenyl-2-[4-(trifluoromethyl)phenyl]indeno[1,2-b]pyridin-5-one
CID 167529326
4-Phenyl-2-[3-(trifluoromethyl)phenyl]indeno[1,2-b]pyridin-5-one
CID 167529329
2-(3-Chlorophenyl)-4-phenylindeno[1,2-b]pyridin-5-one
CID 167529331
2-(2-Fluorophenyl)-4-phenylindeno[1,2-b]pyridin-5-one
CID 167529332
2-(2-Chlorophenyl)-4-phenylindeno[1,2-b]pyridin-5-one
CID 167529333

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-4-phenylindeno[1,2-b]pyridin-5-one?
The IUPAC name of 2-(4-bromophenyl)-4-phenylindeno[1,2-b]pyridin-5-one (CID 167529339) is 2-(4-bromophenyl)-4-phenylindeno[1,2-b]pyridin-5-one.
What is the SMILES notation for 2-(4-bromophenyl)-4-phenylindeno[1,2-b]pyridin-5-one?
The canonical SMILES for 2-(4-bromophenyl)-4-phenylindeno[1,2-b]pyridin-5-one is O=C1c2ccccc2-c2nc(-c3ccc(Br)cc3)cc(-c3ccccc3)c21.
What is the InChIKey of 2-(4-bromophenyl)-4-phenylindeno[1,2-b]pyridin-5-one?
The InChIKey is WIBKDOPILSRPGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14BrNO/c25-17-12-10-16(11-13-17)21-14-20(15-6-2-1-3-7-15)22-23(26-21)18-8-4-5-9-19(18)24(22)27/h1-14H.
What are the key properties of 2-(4-bromophenyl)-4-phenylindeno[1,2-b]pyridin-5-one?
2-(4-bromophenyl)-4-phenylindeno[1,2-b]pyridin-5-one has a molecular weight of 412.29 g/mol, XLogP of 6.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-4-phenylindeno[1,2-b]pyridin-5-one is sourced from PubChem (CID 167529339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).