(4-ethynylphenyl)-phenyldiazene

C14H10N2 — CID 54055735

IUPAC(4-ethynylphenyl)-phenyldiazene
SMILESC#Cc1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C14H10N2/c1-2-12-8-10-14(11-9-12)16-15-13-6-4-3-5-7-13/h1,3-11H/b16-15+
InChIKeyLWCPAZHTXDGQDB-FOCLMDBBSA-N
MW206.25 g/mol
LogP4.08
Rot. Bonds2

About (4-ethynylphenyl)-phenyldiazene

(4-ethynylphenyl)-phenyldiazene (PubChem CID 54055735) has the molecular formula C14H10N2 and a molecular weight of 206.25 g/mol. Its IUPAC name is (4-ethynylphenyl)-phenyldiazene.

Molecular Properties

Compound Name(4-ethynylphenyl)-phenyldiazene
PubChem CID54055735
Molecular FormulaC14H10N2
Molecular Weight206.25 g/mol
Exact Mass206.08
IUPAC Name(4-ethynylphenyl)-phenyldiazene
SMILESC#Cc1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C14H10N2/c1-2-12-8-10-14(11-9-12)16-15-13-6-4-3-5-7-13/h1,3-11H/b16-15+
InChIKeyLWCPAZHTXDGQDB-FOCLMDBBSA-N
XLogP4.08
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 54.08
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-ethynylphenyl)-phenyldiazene?
The IUPAC name of (4-ethynylphenyl)-phenyldiazene (CID 54055735) is (4-ethynylphenyl)-phenyldiazene.
What is the SMILES notation for (4-ethynylphenyl)-phenyldiazene?
The canonical SMILES for (4-ethynylphenyl)-phenyldiazene is C#Cc1ccc(/N=N/c2ccccc2)cc1.
What is the InChIKey of (4-ethynylphenyl)-phenyldiazene?
The InChIKey is LWCPAZHTXDGQDB-FOCLMDBBSA-N. The full InChI is InChI=1S/C14H10N2/c1-2-12-8-10-14(11-9-12)16-15-13-6-4-3-5-7-13/h1,3-11H/b16-15+.
What are the key properties of (4-ethynylphenyl)-phenyldiazene?
(4-ethynylphenyl)-phenyldiazene has a molecular weight of 206.25 g/mol, XLogP of 4.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethynylphenyl)-phenyldiazene is sourced from PubChem (CID 54055735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).