methyl-[4-(naphthalen-1-yldiazenyl)naphthalen-1-yl]diazene

C21H16N4 — CID 21337324

IUPACmethyl-[4-(naphthalen-1-yldiazenyl)naphthalen-1-yl]diazene
SMILESC/N=N/c1ccc(/N=N/c2cccc3ccccc23)c2ccccc12
InChIInChI=1S/C21H16N4/c1-22-23-20-13-14-21(18-11-5-4-10-17(18)20)25-24-19-12-6-8-15-7-2-3-9-16(15)19/h2-14H,1H3/b23-22+,25-24+
InChIKeyVJNJCUWUWXOLHB-VTJHEJDCSA-N
MW324.39 g/mol
LogP7.12
Rot. Bonds3

About methyl-[4-(naphthalen-1-yldiazenyl)naphthalen-1-yl]diazene

methyl-[4-(naphthalen-1-yldiazenyl)naphthalen-1-yl]diazene (PubChem CID 21337324) has the molecular formula C21H16N4 and a molecular weight of 324.39 g/mol. Its IUPAC name is methyl-[4-(naphthalen-1-yldiazenyl)naphthalen-1-yl]diazene.

Molecular Properties

Compound Namemethyl-[4-(naphthalen-1-yldiazenyl)naphthalen-1-yl]diazene
PubChem CID21337324
Molecular FormulaC21H16N4
Molecular Weight324.39 g/mol
Exact Mass324.14
IUPAC Namemethyl-[4-(naphthalen-1-yldiazenyl)naphthalen-1-yl]diazene
SMILESC/N=N/c1ccc(/N=N/c2cccc3ccccc23)c2ccccc12
InChIInChI=1S/C21H16N4/c1-22-23-20-13-14-21(18-11-5-4-10-17(18)20)25-24-19-12-6-8-15-7-2-3-9-16(15)19/h2-14H,1H3/b23-22+,25-24+
InChIKeyVJNJCUWUWXOLHB-VTJHEJDCSA-N
XLogP7.12
TPSA49.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.39
LogP ≤ 57.12
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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Frequently Asked Questions

What is the IUPAC name of methyl-[4-(naphthalen-1-yldiazenyl)naphthalen-1-yl]diazene?
The IUPAC name of methyl-[4-(naphthalen-1-yldiazenyl)naphthalen-1-yl]diazene (CID 21337324) is methyl-[4-(naphthalen-1-yldiazenyl)naphthalen-1-yl]diazene.
What is the SMILES notation for methyl-[4-(naphthalen-1-yldiazenyl)naphthalen-1-yl]diazene?
The canonical SMILES for methyl-[4-(naphthalen-1-yldiazenyl)naphthalen-1-yl]diazene is C/N=N/c1ccc(/N=N/c2cccc3ccccc23)c2ccccc12.
What is the InChIKey of methyl-[4-(naphthalen-1-yldiazenyl)naphthalen-1-yl]diazene?
The InChIKey is VJNJCUWUWXOLHB-VTJHEJDCSA-N. The full InChI is InChI=1S/C21H16N4/c1-22-23-20-13-14-21(18-11-5-4-10-17(18)20)25-24-19-12-6-8-15-7-2-3-9-16(15)19/h2-14H,1H3/b23-22+,25-24+.
What are the key properties of methyl-[4-(naphthalen-1-yldiazenyl)naphthalen-1-yl]diazene?
methyl-[4-(naphthalen-1-yldiazenyl)naphthalen-1-yl]diazene has a molecular weight of 324.39 g/mol, XLogP of 7.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[4-(naphthalen-1-yldiazenyl)naphthalen-1-yl]diazene is sourced from PubChem (CID 21337324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).