(4-methylphenyl)-naphthalen-1-yldiazene

C17H14N2 — CID 20700715

IUPAC(4-methylphenyl)-naphthalen-1-yldiazene
SMILESCc1ccc(/N=N/c2cccc3ccccc23)cc1
InChIInChI=1S/C17H14N2/c1-13-9-11-15(12-10-13)18-19-17-8-4-6-14-5-2-3-7-16(14)17/h2-12H,1H3/b19-18+
InChIKeyNZEJCNXORHJWIV-VHEBQXMUSA-N
MW246.31 g/mol
LogP5.56
Rot. Bonds2

About (4-methylphenyl)-naphthalen-1-yldiazene

(4-methylphenyl)-naphthalen-1-yldiazene (PubChem CID 20700715) has the molecular formula C17H14N2 and a molecular weight of 246.31 g/mol. Its IUPAC name is (4-methylphenyl)-naphthalen-1-yldiazene.

Molecular Properties

Compound Name(4-methylphenyl)-naphthalen-1-yldiazene
PubChem CID20700715
Molecular FormulaC17H14N2
Molecular Weight246.31 g/mol
Exact Mass246.12
IUPAC Name(4-methylphenyl)-naphthalen-1-yldiazene
SMILESCc1ccc(/N=N/c2cccc3ccccc23)cc1
InChIInChI=1S/C17H14N2/c1-13-9-11-15(12-10-13)18-19-17-8-4-6-14-5-2-3-7-16(14)17/h2-12H,1H3/b19-18+
InChIKeyNZEJCNXORHJWIV-VHEBQXMUSA-N
XLogP5.56
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500246.31
LogP ≤ 55.56
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'}

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Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)-naphthalen-1-yldiazene?
The IUPAC name of (4-methylphenyl)-naphthalen-1-yldiazene (CID 20700715) is (4-methylphenyl)-naphthalen-1-yldiazene.
What is the SMILES notation for (4-methylphenyl)-naphthalen-1-yldiazene?
The canonical SMILES for (4-methylphenyl)-naphthalen-1-yldiazene is Cc1ccc(/N=N/c2cccc3ccccc23)cc1.
What is the InChIKey of (4-methylphenyl)-naphthalen-1-yldiazene?
The InChIKey is NZEJCNXORHJWIV-VHEBQXMUSA-N. The full InChI is InChI=1S/C17H14N2/c1-13-9-11-15(12-10-13)18-19-17-8-4-6-14-5-2-3-7-16(14)17/h2-12H,1H3/b19-18+.
What are the key properties of (4-methylphenyl)-naphthalen-1-yldiazene?
(4-methylphenyl)-naphthalen-1-yldiazene has a molecular weight of 246.31 g/mol, XLogP of 5.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)-naphthalen-1-yldiazene is sourced from PubChem (CID 20700715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).