acetic acid;azane;3-fluorobenzaldehyde;1-(3-fluorophenyl)ethanone;2,4,6-tris(3-fluorophenyl)pyridine

C42H37F5N2O6 — CID 158220528

IUPACacetic acid;azane;3-fluorobenzaldehyde;1-(3-fluorophenyl)ethanone;2,4,6-tris(3-fluorophenyl)pyridine
SMILESCC(=O)O.CC(=O)O.CC(=O)c1cccc(F)c1.Fc1cccc(-c2cc(-c3cccc(F)c3)nc(-c3cccc(F)c3)c2)c1.N.O=Cc1cccc(F)c1
InChIInChI=1S/C23H14F3N.C8H7FO.C7H5FO.2C2H4O2.H3N/c24-19-7-1-4-15(10-19)18-13-22(16-5-2-8-20(25)11-16)27-23(14-18)17-6-3-9-21(26)12-17;1-6(10)7-3-2-4-8(9)5-7;8-7-3-1-2-6(4-7)5-9;2*1-2(3)4;/h1-14H;2-5H,1H3;1-5H;2*1H3,(H,3,4);1H3
InChIKeyYTHBQIZRYBKZJC-UHFFFAOYSA-N
MW760.76 g/mol
LogP10.51
Rot. Bonds5

About acetic acid;azane;3-fluorobenzaldehyde;1-(3-fluorophenyl)ethanone;2,4,6-tris(3-fluorophenyl)pyridine

acetic acid;azane;3-fluorobenzaldehyde;1-(3-fluorophenyl)ethanone;2,4,6-tris(3-fluorophenyl)pyridine (PubChem CID 158220528) has the molecular formula C42H37F5N2O6 and a molecular weight of 760.76 g/mol. Its IUPAC name is acetic acid;azane;3-fluorobenzaldehyde;1-(3-fluorophenyl)ethanone;2,4,6-tris(3-fluorophenyl)pyridine.

Molecular Properties

Compound Nameacetic acid;azane;3-fluorobenzaldehyde;1-(3-fluorophenyl)ethanone;2,4,6-tris(3-fluorophenyl)pyridine
PubChem CID158220528
Molecular FormulaC42H37F5N2O6
Molecular Weight760.76 g/mol
Exact Mass760.26
IUPAC Nameacetic acid;azane;3-fluorobenzaldehyde;1-(3-fluorophenyl)ethanone;2,4,6-tris(3-fluorophenyl)pyridine
SMILESCC(=O)O.CC(=O)O.CC(=O)c1cccc(F)c1.Fc1cccc(-c2cc(-c3cccc(F)c3)nc(-c3cccc(F)c3)c2)c1.N.O=Cc1cccc(F)c1
InChIInChI=1S/C23H14F3N.C8H7FO.C7H5FO.2C2H4O2.H3N/c24-19-7-1-4-15(10-19)18-13-22(16-5-2-8-20(25)11-16)27-23(14-18)17-6-3-9-21(26)12-17;1-6(10)7-3-2-4-8(9)5-7;8-7-3-1-2-6(4-7)5-9;2*1-2(3)4;/h1-14H;2-5H,1H3;1-5H;2*1H3,(H,3,4);1H3
InChIKeyYTHBQIZRYBKZJC-UHFFFAOYSA-N
XLogP10.51
TPSA156.63 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500760.76
LogP ≤ 510.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2,6-Bis[4-(4-fluorophenyl)-6-methylheptyl]pyridine-3-carbaldehyde
CID 56977171
4-[4-[[4-(1,1-Difluoroethyl)phenyl]methyl]phenyl]-1-[6-[3-(2,6-difluorophenyl)propyl]-3-methyl-2-pyridinyl]butan-1-one
CID 123290681
2-[3-(4-Acetyl-6-methyl-2-pyridinyl)-4-fluorophenyl]-1-[4-fluoro-3-(2-fluorophenyl)-5-methylphenyl]ethanone
CID 123556348
[3-[6-[2-[6-(3-Benzoyl-2,4-difluorophenyl)-2-pyridinyl]ethyl]-2-pyridinyl]-2,6-difluorophenyl]-phenylmethanone
CID 59342182
2,6-Bis(2,3-difluorophenyl)pyridine-4-carbaldehyde
CID 133093650
4-[6-[3-(3-Fluorophenyl)propyl]-5-(3-phenylpropanoyl)-2-pyridinyl]-2-methylcyclohexa-1,3-diene-1-carbaldehyde
CID 143621324
1-(5,6-Diphenylpyridin-2-yl)propan-1-one;1-[5-phenyl-6-[4-(trifluoromethyl)phenyl]pyridin-2-yl]propan-1-one
CID 158003017
[3-[6-[3-(4-Methylbenzoyl)phenyl]-4-phenyl-2-pyridinyl]phenyl]-(4-methylphenyl)methanone
CID 57864973
(E)-3-[3-[6-[3-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl]-4-phenyl-2-pyridinyl]phenyl]-1-phenylprop-2-en-1-one
CID 58692997
1-(6-Acetyl-2-pyridinyl)ethanone;bis(triphenylmethanamine)
CID 69889223
3-[3-[6-[3-(3-Oxo-3-phenylprop-1-enyl)phenyl]-4-phenyl-2-pyridinyl]phenyl]-1-phenylprop-2-en-1-one
CID 72393923
1-(6-acetyl-2-pyridinyl)ethanone;bis(N,1,1-triphenylmethanimine)
CID 88038786

Frequently Asked Questions

What is the IUPAC name of acetic acid;azane;3-fluorobenzaldehyde;1-(3-fluorophenyl)ethanone;2,4,6-tris(3-fluorophenyl)pyridine?
The IUPAC name of acetic acid;azane;3-fluorobenzaldehyde;1-(3-fluorophenyl)ethanone;2,4,6-tris(3-fluorophenyl)pyridine (CID 158220528) is acetic acid;azane;3-fluorobenzaldehyde;1-(3-fluorophenyl)ethanone;2,4,6-tris(3-fluorophenyl)pyridine.
What is the SMILES notation for acetic acid;azane;3-fluorobenzaldehyde;1-(3-fluorophenyl)ethanone;2,4,6-tris(3-fluorophenyl)pyridine?
The canonical SMILES for acetic acid;azane;3-fluorobenzaldehyde;1-(3-fluorophenyl)ethanone;2,4,6-tris(3-fluorophenyl)pyridine is CC(=O)O.CC(=O)O.CC(=O)c1cccc(F)c1.Fc1cccc(-c2cc(-c3cccc(F)c3)nc(-c3cccc(F)c3)c2)c1.N.O=Cc1cccc(F)c1.
What is the InChIKey of acetic acid;azane;3-fluorobenzaldehyde;1-(3-fluorophenyl)ethanone;2,4,6-tris(3-fluorophenyl)pyridine?
The InChIKey is YTHBQIZRYBKZJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14F3N.C8H7FO.C7H5FO.2C2H4O2.H3N/c24-19-7-1-4-15(10-19)18-13-22(16-5-2-8-20(25)11-16)27-23(14-18)17-6-3-9-21(26)12-17;1-6(10)7-3-2-4-8(9)5-7;8-7-3-1-2-6(4-7)5-9;2*1-2(3)4;/h1-14H;2-5H,1H3;1-5H;2*1H3,(H,3,4);1H3.
What are the key properties of acetic acid;azane;3-fluorobenzaldehyde;1-(3-fluorophenyl)ethanone;2,4,6-tris(3-fluorophenyl)pyridine?
acetic acid;azane;3-fluorobenzaldehyde;1-(3-fluorophenyl)ethanone;2,4,6-tris(3-fluorophenyl)pyridine has a molecular weight of 760.76 g/mol, XLogP of 10.51, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;azane;3-fluorobenzaldehyde;1-(3-fluorophenyl)ethanone;2,4,6-tris(3-fluorophenyl)pyridine is sourced from PubChem (CID 158220528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).