3-(4-chlorophenyl)-1-phenyl-3-(2-pyridin-2-ylphenyl)propan-1-one

C26H20ClNO — CID 135058585

IUPAC3-(4-chlorophenyl)-1-phenyl-3-(2-pyridin-2-ylphenyl)propan-1-one
SMILESO=C(CC(c1ccc(Cl)cc1)c1ccccc1-c1ccccn1)c1ccccc1
InChIInChI=1S/C26H20ClNO/c27-21-15-13-19(14-16-21)24(18-26(29)20-8-2-1-3-9-20)22-10-4-5-11-23(22)25-12-6-7-17-28-25/h1-17,24H,18H2
InChIKeyZKYUOSSJOUPJEC-UHFFFAOYSA-N
MW397.91 g/mol
LogP6.81
Rot. Bonds6

About 3-(4-chlorophenyl)-1-phenyl-3-(2-pyridin-2-ylphenyl)propan-1-one

3-(4-chlorophenyl)-1-phenyl-3-(2-pyridin-2-ylphenyl)propan-1-one (PubChem CID 135058585) has the molecular formula C26H20ClNO and a molecular weight of 397.91 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1-phenyl-3-(2-pyridin-2-ylphenyl)propan-1-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1-phenyl-3-(2-pyridin-2-ylphenyl)propan-1-one
PubChem CID135058585
Molecular FormulaC26H20ClNO
Molecular Weight397.91 g/mol
Exact Mass397.12
IUPAC Name3-(4-chlorophenyl)-1-phenyl-3-(2-pyridin-2-ylphenyl)propan-1-one
SMILESO=C(CC(c1ccc(Cl)cc1)c1ccccc1-c1ccccn1)c1ccccc1
InChIInChI=1S/C26H20ClNO/c27-21-15-13-19(14-16-21)24(18-26(29)20-8-2-1-3-9-20)22-10-4-5-11-23(22)25-12-6-7-17-28-25/h1-17,24H,18H2
InChIKeyZKYUOSSJOUPJEC-UHFFFAOYSA-N
XLogP6.81
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.91
LogP ≤ 56.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4'-fluorobutyrophenone)-4-(4-chlorophenyl)pyridinium
CID 9975463
[5-(2-Chlorophenyl)-1-pentylpyrrol-3-yl]-naphthalen-1-ylmethanone
CID 16049784
4-(4'-Chlorobenzoyl)pyridine
CID 98503
MR-20492
CID 9819080
(5-(3-chlorophenyl)-1-pentyl-1H-pyrrol-3-yl)(naphthalen-1-yl)methanone
CID 44418337
(5-(4-chlorophenyl)-1-pentyl-1H-pyrrol-3-yl)(naphthalen-1-yl)methanone
CID 44418367
2-(4-Chlorobenzoyl)pyridine
CID 80594
1-Isoquinolinyl phenyl ketone
CID 280081
(Z)-6-(4-chlorophenyl)-7-(pyridin-3-ylmethylene)-6,7-dihydroindolizin-8(5H)-one
CID 10019821
(2E)-2-[(2-Chloropyridin-3-yl)methylidene]-2,3-dihydro-1Hinden-1-one (11e)
CID 122172778
1-[2-(4-Chloro-phenyl)-2-oxo-ethyl]-3-methyl-pyridinium
CID 24746912
1-[4-(13-Chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]-2-phenylethanone
CID 10137458

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1-phenyl-3-(2-pyridin-2-ylphenyl)propan-1-one?
The IUPAC name of 3-(4-chlorophenyl)-1-phenyl-3-(2-pyridin-2-ylphenyl)propan-1-one (CID 135058585) is 3-(4-chlorophenyl)-1-phenyl-3-(2-pyridin-2-ylphenyl)propan-1-one.
What is the SMILES notation for 3-(4-chlorophenyl)-1-phenyl-3-(2-pyridin-2-ylphenyl)propan-1-one?
The canonical SMILES for 3-(4-chlorophenyl)-1-phenyl-3-(2-pyridin-2-ylphenyl)propan-1-one is O=C(CC(c1ccc(Cl)cc1)c1ccccc1-c1ccccn1)c1ccccc1.
What is the InChIKey of 3-(4-chlorophenyl)-1-phenyl-3-(2-pyridin-2-ylphenyl)propan-1-one?
The InChIKey is ZKYUOSSJOUPJEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20ClNO/c27-21-15-13-19(14-16-21)24(18-26(29)20-8-2-1-3-9-20)22-10-4-5-11-23(22)25-12-6-7-17-28-25/h1-17,24H,18H2.
What are the key properties of 3-(4-chlorophenyl)-1-phenyl-3-(2-pyridin-2-ylphenyl)propan-1-one?
3-(4-chlorophenyl)-1-phenyl-3-(2-pyridin-2-ylphenyl)propan-1-one has a molecular weight of 397.91 g/mol, XLogP of 6.81, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-1-phenyl-3-(2-pyridin-2-ylphenyl)propan-1-one is sourced from PubChem (CID 135058585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).