methyl-(4-methylphenyl)diazene;bis(1-(4-methylphenyl)ethanone)

C26H30N2O2 — CID 159441223

IUPACmethyl-(4-methylphenyl)diazene;bis(1-(4-methylphenyl)ethanone)
SMILESC/N=N/c1ccc(C)cc1.CC(=O)c1ccc(C)cc1.CC(=O)c1ccc(C)cc1
InChIInChI=1S/2C9H10O.C8H10N2/c2*1-7-3-5-9(6-4-7)8(2)10;1-7-3-5-8(6-4-7)10-9-2/h3*3-6H,1-2H3/b;;10-9+
InChIKeyLSEWHGMHYVEBPR-OISJLWGESA-N
MW402.54 g/mol
LogP7.10
Rot. Bonds3

About methyl-(4-methylphenyl)diazene;bis(1-(4-methylphenyl)ethanone)

methyl-(4-methylphenyl)diazene;bis(1-(4-methylphenyl)ethanone) (PubChem CID 159441223) has the molecular formula C26H30N2O2 and a molecular weight of 402.54 g/mol. Its IUPAC name is methyl-(4-methylphenyl)diazene;bis(1-(4-methylphenyl)ethanone).

Molecular Properties

Compound Namemethyl-(4-methylphenyl)diazene;bis(1-(4-methylphenyl)ethanone)
PubChem CID159441223
Molecular FormulaC26H30N2O2
Molecular Weight402.54 g/mol
Exact Mass402.23
IUPAC Namemethyl-(4-methylphenyl)diazene;bis(1-(4-methylphenyl)ethanone)
SMILESC/N=N/c1ccc(C)cc1.CC(=O)c1ccc(C)cc1.CC(=O)c1ccc(C)cc1
InChIInChI=1S/2C9H10O.C8H10N2/c2*1-7-3-5-9(6-4-7)8(2)10;1-7-3-5-8(6-4-7)10-9-2/h3*3-6H,1-2H3/b;;10-9+
InChIKeyLSEWHGMHYVEBPR-OISJLWGESA-N
XLogP7.10
TPSA58.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.54
LogP ≤ 57.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-methylphenyl)ethanone;hydrochloride
CID 172692328
1-[4-[(2-hydroxy-5-methylphenyl)diazenyl]phenyl]ethanone
CID 3514586
ethane;1-(4-phenyldiazenylphenyl)ethanone
CID 165138177
bis(4-methylphenyl)diazene
CID 10389
1-(4-acetylphenyl)ethanone;methane
CID 159515104
3-[(4-acetylphenyl)diazenyl]-4-hydroxypent-3-en-2-one
CID 135496450
1-[4-[4-[4-[4-[4-(4-methylphenyl)phenoxy]phenoxy]phenyl]phenoxy]phenyl]ethanone
CID 126710300
2-bromo-1-(4-methylphenyl)ethanone;ethane;1-(4-methylphenyl)ethanone
CID 143457171
1-[4-[2-[4-(4-methylphenyl)phenyl]ethynyl]phenyl]ethanone
CID 18738024
ethane;[4-[(4-methylphenyl)diazenyl]phenyl] 4-methylbenzoate
CID 145376493
1-[4-[[4-[[4-(ethylamino)phenyl]diazenyl]phenyl]diazenyl]phenyl]ethanone
CID 134216733
1-[4-(3,5-dimethylphenyl)phenyl]ethanone
CID 11148810

Frequently Asked Questions

What is the IUPAC name of methyl-(4-methylphenyl)diazene;bis(1-(4-methylphenyl)ethanone)?
The IUPAC name of methyl-(4-methylphenyl)diazene;bis(1-(4-methylphenyl)ethanone) (CID 159441223) is methyl-(4-methylphenyl)diazene;bis(1-(4-methylphenyl)ethanone).
What is the SMILES notation for methyl-(4-methylphenyl)diazene;bis(1-(4-methylphenyl)ethanone)?
The canonical SMILES for methyl-(4-methylphenyl)diazene;bis(1-(4-methylphenyl)ethanone) is C/N=N/c1ccc(C)cc1.CC(=O)c1ccc(C)cc1.CC(=O)c1ccc(C)cc1.
What is the InChIKey of methyl-(4-methylphenyl)diazene;bis(1-(4-methylphenyl)ethanone)?
The InChIKey is LSEWHGMHYVEBPR-OISJLWGESA-N. The full InChI is InChI=1S/2C9H10O.C8H10N2/c2*1-7-3-5-9(6-4-7)8(2)10;1-7-3-5-8(6-4-7)10-9-2/h3*3-6H,1-2H3/b;;10-9+.
What are the key properties of methyl-(4-methylphenyl)diazene;bis(1-(4-methylphenyl)ethanone)?
methyl-(4-methylphenyl)diazene;bis(1-(4-methylphenyl)ethanone) has a molecular weight of 402.54 g/mol, XLogP of 7.10, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-(4-methylphenyl)diazene;bis(1-(4-methylphenyl)ethanone) is sourced from PubChem (CID 159441223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).