N-propyl-4-[[4-[[4-(trifluoromethyl)phenyl]diazenyl]phenyl]diazenyl]aniline

C22H20F3N5 — CID 134216743

IUPACN-propyl-4-[[4-[[4-(trifluoromethyl)phenyl]diazenyl]phenyl]diazenyl]aniline
SMILESCCCNc1ccc(/N=N/c2ccc(/N=N/c3ccc(C(F)(F)F)cc3)cc2)cc1
InChIInChI=1S/C22H20F3N5/c1-2-15-26-17-7-9-19(10-8-17)28-30-21-13-11-20(12-14-21)29-27-18-5-3-16(4-6-18)22(23,24)25/h3-14,26H,2,15H2,1H3/b29-27+,30-28+
InChIKeyWURVYWLSSISXBY-QAVVBOBSSA-N
MW411.43 g/mol
LogP8.36
Rot. Bonds7

About N-propyl-4-[[4-[[4-(trifluoromethyl)phenyl]diazenyl]phenyl]diazenyl]aniline

N-propyl-4-[[4-[[4-(trifluoromethyl)phenyl]diazenyl]phenyl]diazenyl]aniline (PubChem CID 134216743) has the molecular formula C22H20F3N5 and a molecular weight of 411.43 g/mol. Its IUPAC name is N-propyl-4-[[4-[[4-(trifluoromethyl)phenyl]diazenyl]phenyl]diazenyl]aniline.

Molecular Properties

Compound NameN-propyl-4-[[4-[[4-(trifluoromethyl)phenyl]diazenyl]phenyl]diazenyl]aniline
PubChem CID134216743
Molecular FormulaC22H20F3N5
Molecular Weight411.43 g/mol
Exact Mass411.17
IUPAC NameN-propyl-4-[[4-[[4-(trifluoromethyl)phenyl]diazenyl]phenyl]diazenyl]aniline
SMILESCCCNc1ccc(/N=N/c2ccc(/N=N/c3ccc(C(F)(F)F)cc3)cc2)cc1
InChIInChI=1S/C22H20F3N5/c1-2-15-26-17-7-9-19(10-8-17)28-30-21-13-11-20(12-14-21)29-27-18-5-3-16(4-6-18)22(23,24)25/h3-14,26H,2,15H2,1H3/b29-27+,30-28+
InChIKeyWURVYWLSSISXBY-QAVVBOBSSA-N
XLogP8.36
TPSA61.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.43
LogP ≤ 58.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-decyl-4-(trifluoromethyl)aniline
CID 63488784
1-[4-(trifluoromethyl)anilino]pentan-3-one
CID 154015684
N-octadecyl-4-phenyldiazenylaniline
CID 15787928
N-(3-ethoxypropyl)-4-(trifluoromethyl)aniline
CID 62648259
(4-iodophenyl)-[4-(trifluoromethyl)phenyl]diazene
CID 125475798
[4-(trifluoromethyl)phenyl]-[3-(2,4,4-trimethylpentan-2-yl)phenyl]diazene
CID 142659934
N',N'-dimethyl-N-[4-(trifluoromethyl)phenyl]propane-1,3-diamine
CID 62648258
N-(3-methylbut-3-enyl)-4-(trifluoromethyl)aniline
CID 114471916
1-[4-[[4-[[4-(trifluoromethyl)phenyl]diazenyl]phenyl]diazenyl]phenyl]hexan-1-one
CID 129088557
4-[[4-(octadecylamino)phenyl]diazenyl]benzoic acid
CID 3321705
N-ethyl-2-[4-(trifluoromethyl)anilino]ethanesulfonamide
CID 106338529
N-(4-chlorobutyl)-4-(trifluoromethyl)aniline
CID 46941334

Frequently Asked Questions

What is the IUPAC name of N-propyl-4-[[4-[[4-(trifluoromethyl)phenyl]diazenyl]phenyl]diazenyl]aniline?
The IUPAC name of N-propyl-4-[[4-[[4-(trifluoromethyl)phenyl]diazenyl]phenyl]diazenyl]aniline (CID 134216743) is N-propyl-4-[[4-[[4-(trifluoromethyl)phenyl]diazenyl]phenyl]diazenyl]aniline.
What is the SMILES notation for N-propyl-4-[[4-[[4-(trifluoromethyl)phenyl]diazenyl]phenyl]diazenyl]aniline?
The canonical SMILES for N-propyl-4-[[4-[[4-(trifluoromethyl)phenyl]diazenyl]phenyl]diazenyl]aniline is CCCNc1ccc(/N=N/c2ccc(/N=N/c3ccc(C(F)(F)F)cc3)cc2)cc1.
What is the InChIKey of N-propyl-4-[[4-[[4-(trifluoromethyl)phenyl]diazenyl]phenyl]diazenyl]aniline?
The InChIKey is WURVYWLSSISXBY-QAVVBOBSSA-N. The full InChI is InChI=1S/C22H20F3N5/c1-2-15-26-17-7-9-19(10-8-17)28-30-21-13-11-20(12-14-21)29-27-18-5-3-16(4-6-18)22(23,24)25/h3-14,26H,2,15H2,1H3/b29-27+,30-28+.
What are the key properties of N-propyl-4-[[4-[[4-(trifluoromethyl)phenyl]diazenyl]phenyl]diazenyl]aniline?
N-propyl-4-[[4-[[4-(trifluoromethyl)phenyl]diazenyl]phenyl]diazenyl]aniline has a molecular weight of 411.43 g/mol, XLogP of 8.36, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-4-[[4-[[4-(trifluoromethyl)phenyl]diazenyl]phenyl]diazenyl]aniline is sourced from PubChem (CID 134216743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).