1-(5,6-diphenyl-2-pyridinyl)propan-1-one;1-[5-phenyl-6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]propan-1-one

C41H33F3N2O2 — CID 158003017

IUPAC1-(5,6-diphenyl-2-pyridinyl)propan-1-one;1-[5-phenyl-6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]propan-1-one
SMILESCCC(=O)c1ccc(-c2ccccc2)c(-c2ccc(C(F)(F)F)cc2)n1.CCC(=O)c1ccc(-c2ccccc2)c(-c2ccccc2)n1
InChIInChI=1S/C21H16F3NO.C20H17NO/c1-2-19(26)18-13-12-17(14-6-4-3-5-7-14)20(25-18)15-8-10-16(11-9-15)21(22,23)24;1-2-19(22)18-14-13-17(15-9-5-3-6-10-15)20(21-18)16-11-7-4-8-12-16/h3-13H,2H2,1H3;3-14H,2H2,1H3
InChIKeyFDYOIVAAYYLKEW-UHFFFAOYSA-N
MW642.72 g/mol
LogP11.04
Rot. Bonds8

About 1-(5,6-diphenyl-2-pyridinyl)propan-1-one;1-[5-phenyl-6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]propan-1-one

1-(5,6-diphenyl-2-pyridinyl)propan-1-one;1-[5-phenyl-6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]propan-1-one (PubChem CID 158003017) has the molecular formula C41H33F3N2O2 and a molecular weight of 642.72 g/mol. Its IUPAC name is 1-(5,6-diphenyl-2-pyridinyl)propan-1-one;1-[5-phenyl-6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]propan-1-one.

Molecular Properties

Compound Name1-(5,6-diphenyl-2-pyridinyl)propan-1-one;1-[5-phenyl-6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]propan-1-one
PubChem CID158003017
Molecular FormulaC41H33F3N2O2
Molecular Weight642.72 g/mol
Exact Mass642.25
IUPAC Name1-(5,6-diphenyl-2-pyridinyl)propan-1-one;1-[5-phenyl-6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]propan-1-one
SMILESCCC(=O)c1ccc(-c2ccccc2)c(-c2ccc(C(F)(F)F)cc2)n1.CCC(=O)c1ccc(-c2ccccc2)c(-c2ccccc2)n1
InChIInChI=1S/C21H16F3NO.C20H17NO/c1-2-19(26)18-13-12-17(14-6-4-3-5-7-14)20(25-18)15-8-10-16(11-9-15)21(22,23)24;1-2-19(22)18-14-13-17(15-9-5-3-6-10-15)20(21-18)16-11-7-4-8-12-16/h3-13H,2H2,1H3;3-14H,2H2,1H3
InChIKeyFDYOIVAAYYLKEW-UHFFFAOYSA-N
XLogP11.04
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500642.72
LogP ≤ 511.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(5,6-diphenyl-2-pyridinyl)propan-1-one;1-[5-phenyl-6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]propan-1-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 1-(5,6-diphenyl-2-pyridinyl)propan-1-one;1-[5-phenyl-6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]propan-1-one?
The IUPAC name of 1-(5,6-diphenyl-2-pyridinyl)propan-1-one;1-[5-phenyl-6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]propan-1-one (CID 158003017) is 1-(5,6-diphenyl-2-pyridinyl)propan-1-one;1-[5-phenyl-6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]propan-1-one.
What is the SMILES notation for 1-(5,6-diphenyl-2-pyridinyl)propan-1-one;1-[5-phenyl-6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]propan-1-one?
The canonical SMILES for 1-(5,6-diphenyl-2-pyridinyl)propan-1-one;1-[5-phenyl-6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]propan-1-one is CCC(=O)c1ccc(-c2ccccc2)c(-c2ccc(C(F)(F)F)cc2)n1.CCC(=O)c1ccc(-c2ccccc2)c(-c2ccccc2)n1.
What is the InChIKey of 1-(5,6-diphenyl-2-pyridinyl)propan-1-one;1-[5-phenyl-6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]propan-1-one?
The InChIKey is FDYOIVAAYYLKEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3NO.C20H17NO/c1-2-19(26)18-13-12-17(14-6-4-3-5-7-14)20(25-18)15-8-10-16(11-9-15)21(22,23)24;1-2-19(22)18-14-13-17(15-9-5-3-6-10-15)20(21-18)16-11-7-4-8-12-16/h3-13H,2H2,1H3;3-14H,2H2,1H3.
What are the key properties of 1-(5,6-diphenyl-2-pyridinyl)propan-1-one;1-[5-phenyl-6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]propan-1-one?
1-(5,6-diphenyl-2-pyridinyl)propan-1-one;1-[5-phenyl-6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]propan-1-one has a molecular weight of 642.72 g/mol, XLogP of 11.04, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-diphenyl-2-pyridinyl)propan-1-one;1-[5-phenyl-6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]propan-1-one is sourced from PubChem (CID 158003017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).