(4-morpholin-4-ylphenyl)-[4-[[4-(trifluoromethyl)phenyl]diazenyl]phenyl]diazene

C23H20F3N5O — CID 88874788

IUPAC(4-morpholin-4-ylphenyl)-[4-[[4-(trifluoromethyl)phenyl]diazenyl]phenyl]diazene
SMILESFC(F)(F)c1ccc(/N=N/c2ccc(/N=N/c3ccc(N4CCOCC4)cc3)cc2)cc1
InChIInChI=1S/C23H20F3N5O/c24-23(25,26)17-1-3-18(4-2-17)27-28-19-5-7-20(8-6-19)29-30-21-9-11-22(12-10-21)31-13-15-32-16-14-31/h1-12H,13-16H2/b28-27+,30-29+
InChIKeyQMLBNUXJQIYNQZ-XOXGWFOHSA-N
MW439.44 g/mol
LogP7.37
Rot. Bonds5

About (4-morpholin-4-ylphenyl)-[4-[[4-(trifluoromethyl)phenyl]diazenyl]phenyl]diazene

(4-morpholin-4-ylphenyl)-[4-[[4-(trifluoromethyl)phenyl]diazenyl]phenyl]diazene (PubChem CID 88874788) has the molecular formula C23H20F3N5O and a molecular weight of 439.44 g/mol. Its IUPAC name is (4-morpholin-4-ylphenyl)-[4-[[4-(trifluoromethyl)phenyl]diazenyl]phenyl]diazene.

Molecular Properties

Compound Name(4-morpholin-4-ylphenyl)-[4-[[4-(trifluoromethyl)phenyl]diazenyl]phenyl]diazene
PubChem CID88874788
Molecular FormulaC23H20F3N5O
Molecular Weight439.44 g/mol
Exact Mass439.16
IUPAC Name(4-morpholin-4-ylphenyl)-[4-[[4-(trifluoromethyl)phenyl]diazenyl]phenyl]diazene
SMILESFC(F)(F)c1ccc(/N=N/c2ccc(/N=N/c3ccc(N4CCOCC4)cc3)cc2)cc1
InChIInChI=1S/C23H20F3N5O/c24-23(25,26)17-1-3-18(4-2-17)27-28-19-5-7-20(8-6-19)29-30-21-9-11-22(12-10-21)31-13-15-32-16-14-31/h1-12H,13-16H2/b28-27+,30-29+
InChIKeyQMLBNUXJQIYNQZ-XOXGWFOHSA-N
XLogP7.37
TPSA61.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.44
LogP ≤ 57.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-morpholin-4-ylphenyl)-[4-[[4-(trifluoromethyl)phenyl]diazenyl]phenyl]diazene?
The IUPAC name of (4-morpholin-4-ylphenyl)-[4-[[4-(trifluoromethyl)phenyl]diazenyl]phenyl]diazene (CID 88874788) is (4-morpholin-4-ylphenyl)-[4-[[4-(trifluoromethyl)phenyl]diazenyl]phenyl]diazene.
What is the SMILES notation for (4-morpholin-4-ylphenyl)-[4-[[4-(trifluoromethyl)phenyl]diazenyl]phenyl]diazene?
The canonical SMILES for (4-morpholin-4-ylphenyl)-[4-[[4-(trifluoromethyl)phenyl]diazenyl]phenyl]diazene is FC(F)(F)c1ccc(/N=N/c2ccc(/N=N/c3ccc(N4CCOCC4)cc3)cc2)cc1.
What is the InChIKey of (4-morpholin-4-ylphenyl)-[4-[[4-(trifluoromethyl)phenyl]diazenyl]phenyl]diazene?
The InChIKey is QMLBNUXJQIYNQZ-XOXGWFOHSA-N. The full InChI is InChI=1S/C23H20F3N5O/c24-23(25,26)17-1-3-18(4-2-17)27-28-19-5-7-20(8-6-19)29-30-21-9-11-22(12-10-21)31-13-15-32-16-14-31/h1-12H,13-16H2/b28-27+,30-29+.
What are the key properties of (4-morpholin-4-ylphenyl)-[4-[[4-(trifluoromethyl)phenyl]diazenyl]phenyl]diazene?
(4-morpholin-4-ylphenyl)-[4-[[4-(trifluoromethyl)phenyl]diazenyl]phenyl]diazene has a molecular weight of 439.44 g/mol, XLogP of 7.37, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-morpholin-4-ylphenyl)-[4-[[4-(trifluoromethyl)phenyl]diazenyl]phenyl]diazene is sourced from PubChem (CID 88874788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).