1-[4-[[4-[[4-(2-oxopropyl)phenyl]diazenyl]phenyl]diazenyl]phenyl]propan-2-one

C24H22N4O2 — CID 159970988

IUPAC1-[4-[[4-[[4-(2-oxopropyl)phenyl]diazenyl]phenyl]diazenyl]phenyl]propan-2-one
SMILESCC(=O)Cc1ccc(/N=N/c2ccc(/N=N/c3ccc(CC(C)=O)cc3)cc2)cc1
InChIInChI=1S/C24H22N4O2/c1-17(29)15-19-3-7-21(8-4-19)25-27-23-11-13-24(14-12-23)28-26-22-9-5-20(6-10-22)16-18(2)30/h3-14H,15-16H2,1-2H3/b27-25+,28-26+
InChIKeyWRGYIOZAVCEVCD-NBHCHVEOSA-N
MW398.47 g/mol
LogP6.78
Rot. Bonds8

About 1-[4-[[4-[[4-(2-oxopropyl)phenyl]diazenyl]phenyl]diazenyl]phenyl]propan-2-one

1-[4-[[4-[[4-(2-oxopropyl)phenyl]diazenyl]phenyl]diazenyl]phenyl]propan-2-one (PubChem CID 159970988) has the molecular formula C24H22N4O2 and a molecular weight of 398.47 g/mol. Its IUPAC name is 1-[4-[[4-[[4-(2-oxopropyl)phenyl]diazenyl]phenyl]diazenyl]phenyl]propan-2-one.

Molecular Properties

Compound Name1-[4-[[4-[[4-(2-oxopropyl)phenyl]diazenyl]phenyl]diazenyl]phenyl]propan-2-one
PubChem CID159970988
Molecular FormulaC24H22N4O2
Molecular Weight398.47 g/mol
Exact Mass398.17
IUPAC Name1-[4-[[4-[[4-(2-oxopropyl)phenyl]diazenyl]phenyl]diazenyl]phenyl]propan-2-one
SMILESCC(=O)Cc1ccc(/N=N/c2ccc(/N=N/c3ccc(CC(C)=O)cc3)cc2)cc1
InChIInChI=1S/C24H22N4O2/c1-17(29)15-19-3-7-21(8-4-19)25-27-23-11-13-24(14-12-23)28-26-22-9-5-20(6-10-22)16-18(2)30/h3-14H,15-16H2,1-2H3/b27-25+,28-26+
InChIKeyWRGYIOZAVCEVCD-NBHCHVEOSA-N
XLogP6.78
TPSA83.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.47
LogP ≤ 56.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

1-[4-[[4-[(4-methylphenyl)diazenyl]phenyl]diazenyl]phenyl]propan-2-one
CID 157078142
1-[4-[[4-[(4-butylphenyl)diazenyl]phenyl]diazenyl]phenyl]propan-2-one
CID 159970990
1-[4-[2-[4-[(4-butylphenyl)diazenyl]phenyl]acetyl]phenyl]propan-2-one
CID 157420533
1-(4-hydroxyphenyl)propan-2-one
CID 7019274
2-[4-(2-oxopropyl)phenyl]acetyl chloride
CID 145140807
1-[4-(fluoromethyl)phenyl]propan-2-one
CID 84652370
1-[4-(iodomethyl)phenyl]propan-2-one
CID 20596365
benzene;1-phenylpropan-2-one
CID 21430852
1-(4-propylphenyl)propan-2-one
CID 82490574
1-[4-[(E)-2-methylbut-2-enyl]phenyl]propan-2-one
CID 155748385
[4-[(4-ethylphenyl)diazenyl]phenyl] acetate
CID 4188126
ethane;3-methyl-1-[4-(2-oxopropyl)phenyl]butan-2-one
CID 162736960

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[4-[[4-(2-oxopropyl)phenyl]diazenyl]phenyl]diazenyl]phenyl]propan-2-one?
The IUPAC name of 1-[4-[[4-[[4-(2-oxopropyl)phenyl]diazenyl]phenyl]diazenyl]phenyl]propan-2-one (CID 159970988) is 1-[4-[[4-[[4-(2-oxopropyl)phenyl]diazenyl]phenyl]diazenyl]phenyl]propan-2-one.
What is the SMILES notation for 1-[4-[[4-[[4-(2-oxopropyl)phenyl]diazenyl]phenyl]diazenyl]phenyl]propan-2-one?
The canonical SMILES for 1-[4-[[4-[[4-(2-oxopropyl)phenyl]diazenyl]phenyl]diazenyl]phenyl]propan-2-one is CC(=O)Cc1ccc(/N=N/c2ccc(/N=N/c3ccc(CC(C)=O)cc3)cc2)cc1.
What is the InChIKey of 1-[4-[[4-[[4-(2-oxopropyl)phenyl]diazenyl]phenyl]diazenyl]phenyl]propan-2-one?
The InChIKey is WRGYIOZAVCEVCD-NBHCHVEOSA-N. The full InChI is InChI=1S/C24H22N4O2/c1-17(29)15-19-3-7-21(8-4-19)25-27-23-11-13-24(14-12-23)28-26-22-9-5-20(6-10-22)16-18(2)30/h3-14H,15-16H2,1-2H3/b27-25+,28-26+.
What are the key properties of 1-[4-[[4-[[4-(2-oxopropyl)phenyl]diazenyl]phenyl]diazenyl]phenyl]propan-2-one?
1-[4-[[4-[[4-(2-oxopropyl)phenyl]diazenyl]phenyl]diazenyl]phenyl]propan-2-one has a molecular weight of 398.47 g/mol, XLogP of 6.78, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[4-[[4-(2-oxopropyl)phenyl]diazenyl]phenyl]diazenyl]phenyl]propan-2-one is sourced from PubChem (CID 159970988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).