(4-diazenyl-2-methylphenyl)-(3-methylphenyl)diazene

C14H14N4 — CID 91451182

IUPAC(4-diazenyl-2-methylphenyl)-(3-methylphenyl)diazene
SMILES[H]/N=N/c1ccc(/N=N/c2cccc(C)c2)c(C)c1
InChIInChI=1S/C14H14N4/c1-10-4-3-5-13(8-10)17-18-14-7-6-12(16-15)9-11(14)2/h3-9,15H,1-2H3/b16-15+,18-17+
InChIKeySVAUYPIDRHPKTO-GKIXDJALSA-N
MW238.29 g/mol
LogP5.38
Rot. Bonds3

About (4-diazenyl-2-methylphenyl)-(3-methylphenyl)diazene

(4-diazenyl-2-methylphenyl)-(3-methylphenyl)diazene (PubChem CID 91451182) has the molecular formula C14H14N4 and a molecular weight of 238.29 g/mol. Its IUPAC name is (4-diazenyl-2-methylphenyl)-(3-methylphenyl)diazene.

Molecular Properties

Compound Name(4-diazenyl-2-methylphenyl)-(3-methylphenyl)diazene
PubChem CID91451182
Molecular FormulaC14H14N4
Molecular Weight238.29 g/mol
Exact Mass238.12
IUPAC Name(4-diazenyl-2-methylphenyl)-(3-methylphenyl)diazene
SMILES[H]/N=N/c1ccc(/N=N/c2cccc(C)c2)c(C)c1
InChIInChI=1S/C14H14N4/c1-10-4-3-5-13(8-10)17-18-14-7-6-12(16-15)9-11(14)2/h3-9,15H,1-2H3/b16-15+,18-17+
InChIKeySVAUYPIDRHPKTO-GKIXDJALSA-N
XLogP5.38
TPSA60.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500238.29
LogP ≤ 55.38
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of (4-diazenyl-2-methylphenyl)-(3-methylphenyl)diazene?
The IUPAC name of (4-diazenyl-2-methylphenyl)-(3-methylphenyl)diazene (CID 91451182) is (4-diazenyl-2-methylphenyl)-(3-methylphenyl)diazene.
What is the SMILES notation for (4-diazenyl-2-methylphenyl)-(3-methylphenyl)diazene?
The canonical SMILES for (4-diazenyl-2-methylphenyl)-(3-methylphenyl)diazene is [H]/N=N/c1ccc(/N=N/c2cccc(C)c2)c(C)c1.
What is the InChIKey of (4-diazenyl-2-methylphenyl)-(3-methylphenyl)diazene?
The InChIKey is SVAUYPIDRHPKTO-GKIXDJALSA-N. The full InChI is InChI=1S/C14H14N4/c1-10-4-3-5-13(8-10)17-18-14-7-6-12(16-15)9-11(14)2/h3-9,15H,1-2H3/b16-15+,18-17+.
What are the key properties of (4-diazenyl-2-methylphenyl)-(3-methylphenyl)diazene?
(4-diazenyl-2-methylphenyl)-(3-methylphenyl)diazene has a molecular weight of 238.29 g/mol, XLogP of 5.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-diazenyl-2-methylphenyl)-(3-methylphenyl)diazene is sourced from PubChem (CID 91451182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).