4-[[4-[[4-(trifluoromethyl)phenyl]diazenyl]phenyl]diazenyl]benzaldehyde

C20H13F3N4O — CID 129101740

IUPAC4-[[4-[[4-(trifluoromethyl)phenyl]diazenyl]phenyl]diazenyl]benzaldehyde
SMILESO=Cc1ccc(/N=N/c2ccc(/N=N/c3ccc(C(F)(F)F)cc3)cc2)cc1
InChIInChI=1S/C20H13F3N4O/c21-20(22,23)15-3-7-17(8-4-15)25-27-19-11-9-18(10-12-19)26-24-16-5-1-14(13-28)2-6-16/h1-13H/b26-24+,27-25+
InChIKeyHJRNSBDJSGXZBU-OWUYFMIJSA-N
MW382.35 g/mol
LogP7.35
Rot. Bonds5

About 4-[[4-[[4-(trifluoromethyl)phenyl]diazenyl]phenyl]diazenyl]benzaldehyde

4-[[4-[[4-(trifluoromethyl)phenyl]diazenyl]phenyl]diazenyl]benzaldehyde (PubChem CID 129101740) has the molecular formula C20H13F3N4O and a molecular weight of 382.35 g/mol. Its IUPAC name is 4-[[4-[[4-(trifluoromethyl)phenyl]diazenyl]phenyl]diazenyl]benzaldehyde.

Molecular Properties

Compound Name4-[[4-[[4-(trifluoromethyl)phenyl]diazenyl]phenyl]diazenyl]benzaldehyde
PubChem CID129101740
Molecular FormulaC20H13F3N4O
Molecular Weight382.35 g/mol
Exact Mass382.10
IUPAC Name4-[[4-[[4-(trifluoromethyl)phenyl]diazenyl]phenyl]diazenyl]benzaldehyde
SMILESO=Cc1ccc(/N=N/c2ccc(/N=N/c3ccc(C(F)(F)F)cc3)cc2)cc1
InChIInChI=1S/C20H13F3N4O/c21-20(22,23)15-3-7-17(8-4-15)25-27-19-11-9-18(10-12-19)26-24-16-5-1-14(13-28)2-6-16/h1-13H/b26-24+,27-25+
InChIKeyHJRNSBDJSGXZBU-OWUYFMIJSA-N
XLogP7.35
TPSA66.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.35
LogP ≤ 57.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-[[4-(trifluoromethyl)phenyl]diazenyl]phenyl]diazenyl]benzaldehyde?
The IUPAC name of 4-[[4-[[4-(trifluoromethyl)phenyl]diazenyl]phenyl]diazenyl]benzaldehyde (CID 129101740) is 4-[[4-[[4-(trifluoromethyl)phenyl]diazenyl]phenyl]diazenyl]benzaldehyde.
What is the SMILES notation for 4-[[4-[[4-(trifluoromethyl)phenyl]diazenyl]phenyl]diazenyl]benzaldehyde?
The canonical SMILES for 4-[[4-[[4-(trifluoromethyl)phenyl]diazenyl]phenyl]diazenyl]benzaldehyde is O=Cc1ccc(/N=N/c2ccc(/N=N/c3ccc(C(F)(F)F)cc3)cc2)cc1.
What is the InChIKey of 4-[[4-[[4-(trifluoromethyl)phenyl]diazenyl]phenyl]diazenyl]benzaldehyde?
The InChIKey is HJRNSBDJSGXZBU-OWUYFMIJSA-N. The full InChI is InChI=1S/C20H13F3N4O/c21-20(22,23)15-3-7-17(8-4-15)25-27-19-11-9-18(10-12-19)26-24-16-5-1-14(13-28)2-6-16/h1-13H/b26-24+,27-25+.
What are the key properties of 4-[[4-[[4-(trifluoromethyl)phenyl]diazenyl]phenyl]diazenyl]benzaldehyde?
4-[[4-[[4-(trifluoromethyl)phenyl]diazenyl]phenyl]diazenyl]benzaldehyde has a molecular weight of 382.35 g/mol, XLogP of 7.35, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[[4-(trifluoromethyl)phenyl]diazenyl]phenyl]diazenyl]benzaldehyde is sourced from PubChem (CID 129101740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).