1-[4-[[4-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]phenyl]diazenyl]phenyl]ethanone

C24H25N5O3 — CID 134216748

IUPAC1-[4-[[4-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]phenyl]diazenyl]phenyl]ethanone
SMILESCC(=O)c1ccc(/N=N/c2ccc(/N=N/c3ccc(N(CCO)CCO)cc3)cc2)cc1
InChIInChI=1S/C24H25N5O3/c1-18(32)19-2-4-20(5-3-19)25-26-21-6-8-22(9-7-21)27-28-23-10-12-24(13-11-23)29(14-16-30)15-17-31/h2-13,30-31H,14-17H2,1H3/b26-25+,28-27+
InChIKeySXVNRYFDFHJIFX-PAMTUDGESA-N
MW431.50 g/mol
LogP5.51
Rot. Bonds10

About 1-[4-[[4-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]phenyl]diazenyl]phenyl]ethanone

1-[4-[[4-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]phenyl]diazenyl]phenyl]ethanone (PubChem CID 134216748) has the molecular formula C24H25N5O3 and a molecular weight of 431.50 g/mol. Its IUPAC name is 1-[4-[[4-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]phenyl]diazenyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[[4-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]phenyl]diazenyl]phenyl]ethanone
PubChem CID134216748
Molecular FormulaC24H25N5O3
Molecular Weight431.50 g/mol
Exact Mass431.20
IUPAC Name1-[4-[[4-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]phenyl]diazenyl]phenyl]ethanone
SMILESCC(=O)c1ccc(/N=N/c2ccc(/N=N/c3ccc(N(CCO)CCO)cc3)cc2)cc1
InChIInChI=1S/C24H25N5O3/c1-18(32)19-2-4-20(5-3-19)25-26-21-6-8-22(9-7-21)27-28-23-10-12-24(13-11-23)29(14-16-30)15-17-31/h2-13,30-31H,14-17H2,1H3/b26-25+,28-27+
InChIKeySXVNRYFDFHJIFX-PAMTUDGESA-N
XLogP5.51
TPSA110.21 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.50
LogP ≤ 55.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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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Related Compounds

ethyl 4-[[4-[ethyl(2-hydroxyethyl)amino]phenyl]diazenyl]benzoate
CID 71344599
2-[N-(2-hydroxyethyl)-4-[(4-propan-2-ylphenyl)diazenyl]anilino]ethanol
CID 102397474
1-[4-[[4-[ethyl(methyl)amino]phenyl]diazenyl]phenyl]ethanone
CID 3287675
2-[N-(2-hydroxyethyl)-4-[(1-methylpyridin-1-ium-2-yl)diazenyl]anilino]ethanol
CID 135182893
methyl 4-[bis(2-hydroxyethyl)amino]benzoate
CID 14650314
2-[4-[[4-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]phenyl]diazenyl]-N-methylanilino]ethyl 2-methylpropanoate
CID 142226495
[4-[bis(2-hydroxyethyl)amino]phenyl]iminocyanamide
CID 71543129
1-[4-[bis(2-hydroxyethyl)amino]phenyl]-2-hydroxy-2-methylpropan-1-one
CID 69093819
2-[N-ethyl-4-[[4-[4-[[4-[ethyl(2-hydroxyethyl)amino]phenyl]diazenyl]phenyl]sulfanylphenyl]diazenyl]anilino]ethanol
CID 102049909
ethane;1-(4-phenyldiazenylphenyl)ethanone
CID 165138177
acetic acid;2-[N-(2-hydroxyethyl)anilino]ethanol
CID 22412424
2-[N-(2-hydroxyethyl)-4-(pyridin-1-ium-3-yldiazenyl)anilino]ethanol
CID 136785700

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[4-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]phenyl]diazenyl]phenyl]ethanone?
The IUPAC name of 1-[4-[[4-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]phenyl]diazenyl]phenyl]ethanone (CID 134216748) is 1-[4-[[4-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]phenyl]diazenyl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[[4-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]phenyl]diazenyl]phenyl]ethanone?
The canonical SMILES for 1-[4-[[4-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]phenyl]diazenyl]phenyl]ethanone is CC(=O)c1ccc(/N=N/c2ccc(/N=N/c3ccc(N(CCO)CCO)cc3)cc2)cc1.
What is the InChIKey of 1-[4-[[4-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]phenyl]diazenyl]phenyl]ethanone?
The InChIKey is SXVNRYFDFHJIFX-PAMTUDGESA-N. The full InChI is InChI=1S/C24H25N5O3/c1-18(32)19-2-4-20(5-3-19)25-26-21-6-8-22(9-7-21)27-28-23-10-12-24(13-11-23)29(14-16-30)15-17-31/h2-13,30-31H,14-17H2,1H3/b26-25+,28-27+.
What are the key properties of 1-[4-[[4-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]phenyl]diazenyl]phenyl]ethanone?
1-[4-[[4-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]phenyl]diazenyl]phenyl]ethanone has a molecular weight of 431.50 g/mol, XLogP of 5.51, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[4-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]phenyl]diazenyl]phenyl]ethanone is sourced from PubChem (CID 134216748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).