methyl-(4-phenyldiazenylnaphthalen-1-yl)diazene

C17H14N4 — CID 89279758

IUPACmethyl-(4-phenyldiazenylnaphthalen-1-yl)diazene
SMILESC/N=N/c1ccc(/N=N/c2ccccc2)c2ccccc12
InChIInChI=1S/C17H14N4/c1-18-20-16-11-12-17(15-10-6-5-9-14(15)16)21-19-13-7-3-2-4-8-13/h2-12H,1H3/b20-18+,21-19+
InChIKeyUWCDEGHTTARNCK-FRCMOREXSA-N
MW274.33 g/mol
LogP5.97
Rot. Bonds3

About methyl-(4-phenyldiazenylnaphthalen-1-yl)diazene

methyl-(4-phenyldiazenylnaphthalen-1-yl)diazene (PubChem CID 89279758) has the molecular formula C17H14N4 and a molecular weight of 274.33 g/mol. Its IUPAC name is methyl-(4-phenyldiazenylnaphthalen-1-yl)diazene.

Molecular Properties

Compound Namemethyl-(4-phenyldiazenylnaphthalen-1-yl)diazene
PubChem CID89279758
Molecular FormulaC17H14N4
Molecular Weight274.33 g/mol
Exact Mass274.12
IUPAC Namemethyl-(4-phenyldiazenylnaphthalen-1-yl)diazene
SMILESC/N=N/c1ccc(/N=N/c2ccccc2)c2ccccc12
InChIInChI=1S/C17H14N4/c1-18-20-16-11-12-17(15-10-6-5-9-14(15)16)21-19-13-7-3-2-4-8-13/h2-12H,1H3/b20-18+,21-19+
InChIKeyUWCDEGHTTARNCK-FRCMOREXSA-N
XLogP5.97
TPSA49.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.33
LogP ≤ 55.97
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-phenyldiazenylnaphthalen-1-yl)diazene?
The IUPAC name of methyl-(4-phenyldiazenylnaphthalen-1-yl)diazene (CID 89279758) is methyl-(4-phenyldiazenylnaphthalen-1-yl)diazene.
What is the SMILES notation for methyl-(4-phenyldiazenylnaphthalen-1-yl)diazene?
The canonical SMILES for methyl-(4-phenyldiazenylnaphthalen-1-yl)diazene is C/N=N/c1ccc(/N=N/c2ccccc2)c2ccccc12.
What is the InChIKey of methyl-(4-phenyldiazenylnaphthalen-1-yl)diazene?
The InChIKey is UWCDEGHTTARNCK-FRCMOREXSA-N. The full InChI is InChI=1S/C17H14N4/c1-18-20-16-11-12-17(15-10-6-5-9-14(15)16)21-19-13-7-3-2-4-8-13/h2-12H,1H3/b20-18+,21-19+.
What are the key properties of methyl-(4-phenyldiazenylnaphthalen-1-yl)diazene?
methyl-(4-phenyldiazenylnaphthalen-1-yl)diazene has a molecular weight of 274.33 g/mol, XLogP of 5.97, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-(4-phenyldiazenylnaphthalen-1-yl)diazene is sourced from PubChem (CID 89279758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).