diphenyldiazene;naphthalen-1-amine

C22H19N3 — CID 159387194

IUPACdiphenyldiazene;naphthalen-1-amine
SMILESNc1cccc2ccccc12.c1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C12H10N2.C10H9N/c1-3-7-11(8-4-1)13-14-12-9-5-2-6-10-12;11-10-7-3-5-8-4-1-2-6-9(8)10/h1-10H;1-7H,11H2/b14-13+;
InChIKeyLLQLQSINOZPHDD-IERUDJENSA-N
MW325.42 g/mol
LogP6.52
Rot. Bonds2

About diphenyldiazene;naphthalen-1-amine

diphenyldiazene;naphthalen-1-amine (PubChem CID 159387194) has the molecular formula C22H19N3 and a molecular weight of 325.42 g/mol. Its IUPAC name is diphenyldiazene;naphthalen-1-amine.

Molecular Properties

Compound Namediphenyldiazene;naphthalen-1-amine
PubChem CID159387194
Molecular FormulaC22H19N3
Molecular Weight325.42 g/mol
Exact Mass325.16
IUPAC Namediphenyldiazene;naphthalen-1-amine
SMILESNc1cccc2ccccc12.c1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C12H10N2.C10H9N/c1-3-7-11(8-4-1)13-14-12-9-5-2-6-10-12;11-10-7-3-5-8-4-1-2-6-9(8)10/h1-10H;1-7H,11H2/b14-13+;
InChIKeyLLQLQSINOZPHDD-IERUDJENSA-N
XLogP6.52
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.42
LogP ≤ 56.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of diphenyldiazene;naphthalen-1-amine?
The IUPAC name of diphenyldiazene;naphthalen-1-amine (CID 159387194) is diphenyldiazene;naphthalen-1-amine.
What is the SMILES notation for diphenyldiazene;naphthalen-1-amine?
The canonical SMILES for diphenyldiazene;naphthalen-1-amine is Nc1cccc2ccccc12.c1ccc(/N=N/c2ccccc2)cc1.
What is the InChIKey of diphenyldiazene;naphthalen-1-amine?
The InChIKey is LLQLQSINOZPHDD-IERUDJENSA-N. The full InChI is InChI=1S/C12H10N2.C10H9N/c1-3-7-11(8-4-1)13-14-12-9-5-2-6-10-12;11-10-7-3-5-8-4-1-2-6-9(8)10/h1-10H;1-7H,11H2/b14-13+;.
What are the key properties of diphenyldiazene;naphthalen-1-amine?
diphenyldiazene;naphthalen-1-amine has a molecular weight of 325.42 g/mol, XLogP of 6.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyldiazene;naphthalen-1-amine is sourced from PubChem (CID 159387194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).