3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-1-(4-phenylphenyl)propan-1-one

C26H25NO — CID 10474151

IUPAC3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-1-(4-phenylphenyl)propan-1-one
SMILESO=C(CCN1CC=C(c2ccccc2)CC1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C26H25NO/c28-26(25-13-11-23(12-14-25)21-7-3-1-4-8-21)17-20-27-18-15-24(16-19-27)22-9-5-2-6-10-22/h1-15H,16-20H2
InChIKeyWKHREIJODULVQC-UHFFFAOYSA-N
MW367.49 g/mol
LogP5.72
Rot. Bonds6

About 3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-1-(4-phenylphenyl)propan-1-one

3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-1-(4-phenylphenyl)propan-1-one (PubChem CID 10474151) has the molecular formula C26H25NO and a molecular weight of 367.49 g/mol. Its IUPAC name is 3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-1-(4-phenylphenyl)propan-1-one.

Molecular Properties

Compound Name3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-1-(4-phenylphenyl)propan-1-one
PubChem CID10474151
Molecular FormulaC26H25NO
Molecular Weight367.49 g/mol
Exact Mass367.19
IUPAC Name3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-1-(4-phenylphenyl)propan-1-one
SMILESO=C(CCN1CC=C(c2ccccc2)CC1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C26H25NO/c28-26(25-13-11-23(12-14-25)21-7-3-1-4-8-21)17-20-27-18-15-24(16-19-27)22-9-5-2-6-10-22/h1-15H,16-20H2
InChIKeyWKHREIJODULVQC-UHFFFAOYSA-N
XLogP5.72
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.49
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-1-(4-phenylphenyl)propan-1-one
CID 10022988
1-(4-benzylphenyl)-3-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
CID 10251306
1-(1,3-benzodioxol-5-yl)-3-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
CID 14970532
2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanamine;hydrochloride
CID 131711213
N'-[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetyl]benzohydrazide
CID 8758998
1-(5-methyl-1-pyrimidin-2-ylpyrazol-4-yl)-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one;hydrochloride
CID 22097364
1-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]piperidine-2,6-dione
CID 21448171
3-(3-methylpiperidin-1-yl)-1-(4-phenylphenyl)propan-1-one
CID 82051046
1-butyl-4-phenyl-3,6-dihydro-2H-pyridine;hydrochloride
CID 3031486
6-[3-[4-(3-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propanoyl]-3,4-dihydro-1H-quinolin-2-one
CID 13120847
N-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-9H-fluorene-2-carboxamide
CID 15463157
1-phenyl-3-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)piperidin-1-yl]propan-1-one;hydrochloride
CID 22990895

Frequently Asked Questions

What is the IUPAC name of 3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-1-(4-phenylphenyl)propan-1-one?
The IUPAC name of 3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-1-(4-phenylphenyl)propan-1-one (CID 10474151) is 3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-1-(4-phenylphenyl)propan-1-one.
What is the SMILES notation for 3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-1-(4-phenylphenyl)propan-1-one?
The canonical SMILES for 3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-1-(4-phenylphenyl)propan-1-one is O=C(CCN1CC=C(c2ccccc2)CC1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-1-(4-phenylphenyl)propan-1-one?
The InChIKey is WKHREIJODULVQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25NO/c28-26(25-13-11-23(12-14-25)21-7-3-1-4-8-21)17-20-27-18-15-24(16-19-27)22-9-5-2-6-10-22/h1-15H,16-20H2.
What are the key properties of 3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-1-(4-phenylphenyl)propan-1-one?
3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-1-(4-phenylphenyl)propan-1-one has a molecular weight of 367.49 g/mol, XLogP of 5.72, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-1-(4-phenylphenyl)propan-1-one is sourced from PubChem (CID 10474151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).