1-[4-[[4-[[4-(trifluoromethyl)phenyl]diazenyl]phenyl]diazenyl]phenyl]hexan-1-one

C25H23F3N4O — CID 129088557

IUPAC1-[4-[[4-[[4-(trifluoromethyl)phenyl]diazenyl]phenyl]diazenyl]phenyl]hexan-1-one
SMILESCCCCCC(=O)c1ccc(/N=N/c2ccc(/N=N/c3ccc(C(F)(F)F)cc3)cc2)cc1
InChIInChI=1S/C25H23F3N4O/c1-2-3-4-5-24(33)18-6-10-20(11-7-18)29-31-22-14-16-23(17-15-22)32-30-21-12-8-19(9-13-21)25(26,27)28/h6-17H,2-5H2,1H3/b31-29+,32-30+
InChIKeyZDRJSAVLMZIWJW-JWTBXLROSA-N
MW452.48 g/mol
LogP9.30
Rot. Bonds9

About 1-[4-[[4-[[4-(trifluoromethyl)phenyl]diazenyl]phenyl]diazenyl]phenyl]hexan-1-one

1-[4-[[4-[[4-(trifluoromethyl)phenyl]diazenyl]phenyl]diazenyl]phenyl]hexan-1-one (PubChem CID 129088557) has the molecular formula C25H23F3N4O and a molecular weight of 452.48 g/mol. Its IUPAC name is 1-[4-[[4-[[4-(trifluoromethyl)phenyl]diazenyl]phenyl]diazenyl]phenyl]hexan-1-one.

Molecular Properties

Compound Name1-[4-[[4-[[4-(trifluoromethyl)phenyl]diazenyl]phenyl]diazenyl]phenyl]hexan-1-one
PubChem CID129088557
Molecular FormulaC25H23F3N4O
Molecular Weight452.48 g/mol
Exact Mass452.18
IUPAC Name1-[4-[[4-[[4-(trifluoromethyl)phenyl]diazenyl]phenyl]diazenyl]phenyl]hexan-1-one
SMILESCCCCCC(=O)c1ccc(/N=N/c2ccc(/N=N/c3ccc(C(F)(F)F)cc3)cc2)cc1
InChIInChI=1S/C25H23F3N4O/c1-2-3-4-5-24(33)18-6-10-20(11-7-18)29-31-22-14-16-23(17-15-22)32-30-21-12-8-19(9-13-21)25(26,27)28/h6-17H,2-5H2,1H3/b31-29+,32-30+
InChIKeyZDRJSAVLMZIWJW-JWTBXLROSA-N
XLogP9.30
TPSA66.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.48
LogP ≤ 59.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

1-[4-(trifluoromethyl)phenyl]heptan-1-one
CID 11459571
[4-[[4-(trifluoromethyl)phenyl]diazenyl]phenyl] octanoate
CID 102169469
1-(4-tert-butylphenyl)dodecan-1-one
CID 146005513
1-(4-tetradecanoylphenyl)tetradecan-1-one
CID 59518381
ethyl 6-oxo-6-[4-(trifluoromethyl)phenyl]hexanoate
CID 24727520
7-hydroxy-1-[4-(trifluoromethyl)phenyl]heptan-1-one
CID 66784650
methyl 6-oxo-6-[4-(trifluoromethyl)phenyl]hexanoate
CID 146008143
1-[(E)-1,2-dibromohept-1-enyl]-4-(trifluoromethyl)benzene
CID 101198648
1-[4-[4-(4-hexanoylphenyl)phenyl]phenyl]hexan-1-one
CID 4202714
N-methyl-1-[4-(trifluoromethyl)phenyl]heptan-1-imine
CID 155275361
1-[4-(trifluoromethoxy)phenyl]nonan-1-one
CID 114966864
1-(4-hydroxyphenyl)nonan-1-one
CID 170171737

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[4-[[4-(trifluoromethyl)phenyl]diazenyl]phenyl]diazenyl]phenyl]hexan-1-one?
The IUPAC name of 1-[4-[[4-[[4-(trifluoromethyl)phenyl]diazenyl]phenyl]diazenyl]phenyl]hexan-1-one (CID 129088557) is 1-[4-[[4-[[4-(trifluoromethyl)phenyl]diazenyl]phenyl]diazenyl]phenyl]hexan-1-one.
What is the SMILES notation for 1-[4-[[4-[[4-(trifluoromethyl)phenyl]diazenyl]phenyl]diazenyl]phenyl]hexan-1-one?
The canonical SMILES for 1-[4-[[4-[[4-(trifluoromethyl)phenyl]diazenyl]phenyl]diazenyl]phenyl]hexan-1-one is CCCCCC(=O)c1ccc(/N=N/c2ccc(/N=N/c3ccc(C(F)(F)F)cc3)cc2)cc1.
What is the InChIKey of 1-[4-[[4-[[4-(trifluoromethyl)phenyl]diazenyl]phenyl]diazenyl]phenyl]hexan-1-one?
The InChIKey is ZDRJSAVLMZIWJW-JWTBXLROSA-N. The full InChI is InChI=1S/C25H23F3N4O/c1-2-3-4-5-24(33)18-6-10-20(11-7-18)29-31-22-14-16-23(17-15-22)32-30-21-12-8-19(9-13-21)25(26,27)28/h6-17H,2-5H2,1H3/b31-29+,32-30+.
What are the key properties of 1-[4-[[4-[[4-(trifluoromethyl)phenyl]diazenyl]phenyl]diazenyl]phenyl]hexan-1-one?
1-[4-[[4-[[4-(trifluoromethyl)phenyl]diazenyl]phenyl]diazenyl]phenyl]hexan-1-one has a molecular weight of 452.48 g/mol, XLogP of 9.30, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[4-[[4-(trifluoromethyl)phenyl]diazenyl]phenyl]diazenyl]phenyl]hexan-1-one is sourced from PubChem (CID 129088557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).