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

C22H20N4O — CID 157078142

IUPAC1-[4-[[4-[(4-methylphenyl)diazenyl]phenyl]diazenyl]phenyl]propan-2-one
SMILESCC(=O)Cc1ccc(/N=N/c2ccc(/N=N/c3ccc(C)cc3)cc2)cc1
InChIInChI=1S/C22H20N4O/c1-16-3-7-19(8-4-16)23-25-21-11-13-22(14-12-21)26-24-20-9-5-18(6-10-20)15-17(2)27/h3-14H,15H2,1-2H3/b25-23+,26-24+
InChIKeyFBVZGLCVBIRTGM-OGGGYYITSA-N
MW356.43 g/mol
LogP6.96
Rot. Bonds6

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

1-[4-[[4-[(4-methylphenyl)diazenyl]phenyl]diazenyl]phenyl]propan-2-one (PubChem CID 157078142) has the molecular formula C22H20N4O and a molecular weight of 356.43 g/mol. Its IUPAC name is 1-[4-[[4-[(4-methylphenyl)diazenyl]phenyl]diazenyl]phenyl]propan-2-one.

Molecular Properties

Compound Name1-[4-[[4-[(4-methylphenyl)diazenyl]phenyl]diazenyl]phenyl]propan-2-one
PubChem CID157078142
Molecular FormulaC22H20N4O
Molecular Weight356.43 g/mol
Exact Mass356.16
IUPAC Name1-[4-[[4-[(4-methylphenyl)diazenyl]phenyl]diazenyl]phenyl]propan-2-one
SMILESCC(=O)Cc1ccc(/N=N/c2ccc(/N=N/c3ccc(C)cc3)cc2)cc1
InChIInChI=1S/C22H20N4O/c1-16-3-7-19(8-4-16)23-25-21-11-13-22(14-12-21)26-24-20-9-5-18(6-10-20)15-17(2)27/h3-14H,15H2,1-2H3/b25-23+,26-24+
InChIKeyFBVZGLCVBIRTGM-OGGGYYITSA-N
XLogP6.96
TPSA66.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.43
LogP ≤ 56.96
H-Bond Donors ≤ 50
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

1-[4-[[4-[[4-(2-oxopropyl)phenyl]diazenyl]phenyl]diazenyl]phenyl]propan-2-one
CID 159970988
1-(4-methylphenyl)propan-2-one;toluene
CID 23164694
1-[4-[[4-[(4-butylphenyl)diazenyl]phenyl]diazenyl]phenyl]propan-2-one
CID 159970990
bis(4-methylphenyl)diazene
CID 10389
1-[4-[2-[4-[(4-butylphenyl)diazenyl]phenyl]acetyl]phenyl]propan-2-one
CID 157420533
ethane;1-(4-methylphenyl)pentane-2,4-dione
CID 142280927
1-(4-hydroxyphenyl)propan-2-one
CID 7019274
1-[3-[(4-methylphenyl)methyl]phenyl]propan-2-one
CID 163630604
2-[4-(2-oxopropyl)phenyl]acetyl chloride
CID 145140807
1-[4-(fluoromethyl)phenyl]propan-2-one
CID 84652370
1,5-bis(4-methylphenyl)pentane-2,4-dione
CID 158369503
1-[4-(iodomethyl)phenyl]propan-2-one
CID 20596365

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[4-[(4-methylphenyl)diazenyl]phenyl]diazenyl]phenyl]propan-2-one?
The IUPAC name of 1-[4-[[4-[(4-methylphenyl)diazenyl]phenyl]diazenyl]phenyl]propan-2-one (CID 157078142) is 1-[4-[[4-[(4-methylphenyl)diazenyl]phenyl]diazenyl]phenyl]propan-2-one.
What is the SMILES notation for 1-[4-[[4-[(4-methylphenyl)diazenyl]phenyl]diazenyl]phenyl]propan-2-one?
The canonical SMILES for 1-[4-[[4-[(4-methylphenyl)diazenyl]phenyl]diazenyl]phenyl]propan-2-one is CC(=O)Cc1ccc(/N=N/c2ccc(/N=N/c3ccc(C)cc3)cc2)cc1.
What is the InChIKey of 1-[4-[[4-[(4-methylphenyl)diazenyl]phenyl]diazenyl]phenyl]propan-2-one?
The InChIKey is FBVZGLCVBIRTGM-OGGGYYITSA-N. The full InChI is InChI=1S/C22H20N4O/c1-16-3-7-19(8-4-16)23-25-21-11-13-22(14-12-21)26-24-20-9-5-18(6-10-20)15-17(2)27/h3-14H,15H2,1-2H3/b25-23+,26-24+.
What are the key properties of 1-[4-[[4-[(4-methylphenyl)diazenyl]phenyl]diazenyl]phenyl]propan-2-one?
1-[4-[[4-[(4-methylphenyl)diazenyl]phenyl]diazenyl]phenyl]propan-2-one has a molecular weight of 356.43 g/mol, XLogP of 6.96, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[4-[(4-methylphenyl)diazenyl]phenyl]diazenyl]phenyl]propan-2-one is sourced from PubChem (CID 157078142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).