6-(4-Nitrophenyl)-2,4-diphenylverdazyl

C20H16N5O2 — CID 3082339

IUPAC—
SMILESO=[N+]([O-])c1ccc(C2=NN(c3ccccc3)CN(c3ccccc3)[N]2)cc1
InChIInChI=1S/C20H16N5O2/c26-25(27)19-13-11-16(12-14-19)20-21-23(17-7-3-1-4-8-17)15-24(22-20)18-9-5-2-6-10-18/h1-14H,15H2
InChIKeyUKPWQAIIVKAFCL-UHFFFAOYSA-N
MW358.38 g/mol
LogP3.76
Rot. Bonds4

About 6-(4-Nitrophenyl)-2,4-diphenylverdazyl

6-(4-Nitrophenyl)-2,4-diphenylverdazyl (PubChem CID 3082339) has the molecular formula C20H16N5O2 and a molecular weight of 358.38 g/mol.

Molecular Properties

Compound Name6-(4-Nitrophenyl)-2,4-diphenylverdazyl
PubChem CID3082339
Molecular FormulaC20H16N5O2
Molecular Weight358.38 g/mol
Exact Mass358.13
IUPAC Name—
SMILESO=[N+]([O-])c1ccc(C2=NN(c3ccccc3)CN(c3ccccc3)[N]2)cc1
InChIInChI=1S/C20H16N5O2/c26-25(27)19-13-11-16(12-14-19)20-21-23(17-7-3-1-4-8-17)15-24(22-20)18-9-5-2-6-10-18/h1-14H,15H2
InChIKeyUKPWQAIIVKAFCL-UHFFFAOYSA-N
XLogP3.76
TPSA76.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.38
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(4-Nitrophenyl)-2,4-diphenylverdazyl?
The IUPAC name of 6-(4-Nitrophenyl)-2,4-diphenylverdazyl (CID 3082339) is not available.
What is the SMILES notation for 6-(4-Nitrophenyl)-2,4-diphenylverdazyl?
The canonical SMILES for 6-(4-Nitrophenyl)-2,4-diphenylverdazyl is O=[N+]([O-])c1ccc(C2=NN(c3ccccc3)CN(c3ccccc3)[N]2)cc1.
What is the InChIKey of 6-(4-Nitrophenyl)-2,4-diphenylverdazyl?
The InChIKey is UKPWQAIIVKAFCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N5O2/c26-25(27)19-13-11-16(12-14-19)20-21-23(17-7-3-1-4-8-17)15-24(22-20)18-9-5-2-6-10-18/h1-14H,15H2.
What are the key properties of 6-(4-Nitrophenyl)-2,4-diphenylverdazyl?
6-(4-Nitrophenyl)-2,4-diphenylverdazyl has a molecular weight of 358.38 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-Nitrophenyl)-2,4-diphenylverdazyl is sourced from PubChem (CID 3082339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).