methyl-[4-[4-(4-methylphenyl)buta-1,3-dienyl]phenyl]diazene

C18H18N2 — CID 59911946

IUPACmethyl-[4-[4-(4-methylphenyl)buta-1,3-dienyl]phenyl]diazene
SMILESC/N=N/c1ccc(C=CC=Cc2ccc(C)cc2)cc1
InChIInChI=1S/C18H18N2/c1-15-7-9-16(10-8-15)5-3-4-6-17-11-13-18(14-12-17)20-19-2/h3-14H,1-2H3/b5-3?,6-4?,20-19+
InChIKeyVEEQKGYBFFSVKH-VDVABSDUSA-N
MW262.36 g/mol
LogP5.44
Rot. Bonds4

About methyl-[4-[4-(4-methylphenyl)buta-1,3-dienyl]phenyl]diazene

methyl-[4-[4-(4-methylphenyl)buta-1,3-dienyl]phenyl]diazene (PubChem CID 59911946) has the molecular formula C18H18N2 and a molecular weight of 262.36 g/mol. Its IUPAC name is methyl-[4-[4-(4-methylphenyl)buta-1,3-dienyl]phenyl]diazene.

Molecular Properties

Compound Namemethyl-[4-[4-(4-methylphenyl)buta-1,3-dienyl]phenyl]diazene
PubChem CID59911946
Molecular FormulaC18H18N2
Molecular Weight262.36 g/mol
Exact Mass262.15
IUPAC Namemethyl-[4-[4-(4-methylphenyl)buta-1,3-dienyl]phenyl]diazene
SMILESC/N=N/c1ccc(C=CC=Cc2ccc(C)cc2)cc1
InChIInChI=1S/C18H18N2/c1-15-7-9-16(10-8-15)5-3-4-6-17-11-13-18(14-12-17)20-19-2/h3-14H,1-2H3/b5-3?,6-4?,20-19+
InChIKeyVEEQKGYBFFSVKH-VDVABSDUSA-N
XLogP5.44
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.36
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl-[4-[4-(4-methylphenyl)buta-1,3-dienyl]phenyl]diazene?
The IUPAC name of methyl-[4-[4-(4-methylphenyl)buta-1,3-dienyl]phenyl]diazene (CID 59911946) is methyl-[4-[4-(4-methylphenyl)buta-1,3-dienyl]phenyl]diazene.
What is the SMILES notation for methyl-[4-[4-(4-methylphenyl)buta-1,3-dienyl]phenyl]diazene?
The canonical SMILES for methyl-[4-[4-(4-methylphenyl)buta-1,3-dienyl]phenyl]diazene is C/N=N/c1ccc(C=CC=Cc2ccc(C)cc2)cc1.
What is the InChIKey of methyl-[4-[4-(4-methylphenyl)buta-1,3-dienyl]phenyl]diazene?
The InChIKey is VEEQKGYBFFSVKH-VDVABSDUSA-N. The full InChI is InChI=1S/C18H18N2/c1-15-7-9-16(10-8-15)5-3-4-6-17-11-13-18(14-12-17)20-19-2/h3-14H,1-2H3/b5-3?,6-4?,20-19+.
What are the key properties of methyl-[4-[4-(4-methylphenyl)buta-1,3-dienyl]phenyl]diazene?
methyl-[4-[4-(4-methylphenyl)buta-1,3-dienyl]phenyl]diazene has a molecular weight of 262.36 g/mol, XLogP of 5.44, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[4-[4-(4-methylphenyl)buta-1,3-dienyl]phenyl]diazene is sourced from PubChem (CID 59911946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).