(2Z)-1,2-diphenyl-2-[(E)-1-pyridin-4-ylethylidenehydrazinylidene]ethanone

C21H17N3O — CID 50932502

IUPAC(2Z)-1,2-diphenyl-2-[(E)-1-pyridin-4-ylethylidenehydrazinylidene]ethanone
SMILESC/C(=N\N=C(/C(=O)c1ccccc1)c1ccccc1)c1ccncc1
InChIInChI=1S/C21H17N3O/c1-16(17-12-14-22-15-13-17)23-24-20(18-8-4-2-5-9-18)21(25)19-10-6-3-7-11-19/h2-15H,1H3/b23-16+,24-20-
InChIKeyNYUFOZPMJGUISG-QWMKXMQISA-N
MW327.39 g/mol
LogP4.18
Rot. Bonds5

About (2Z)-1,2-diphenyl-2-[(E)-1-pyridin-4-ylethylidenehydrazinylidene]ethanone

(2Z)-1,2-diphenyl-2-[(E)-1-pyridin-4-ylethylidenehydrazinylidene]ethanone (PubChem CID 50932502) has the molecular formula C21H17N3O and a molecular weight of 327.39 g/mol. Its IUPAC name is (2Z)-1,2-diphenyl-2-[(E)-1-pyridin-4-ylethylidenehydrazinylidene]ethanone.

Molecular Properties

Compound Name(2Z)-1,2-diphenyl-2-[(E)-1-pyridin-4-ylethylidenehydrazinylidene]ethanone
PubChem CID50932502
Molecular FormulaC21H17N3O
Molecular Weight327.39 g/mol
Exact Mass327.14
IUPAC Name(2Z)-1,2-diphenyl-2-[(E)-1-pyridin-4-ylethylidenehydrazinylidene]ethanone
SMILESC/C(=N\N=C(/C(=O)c1ccccc1)c1ccccc1)c1ccncc1
InChIInChI=1S/C21H17N3O/c1-16(17-12-14-22-15-13-17)23-24-20(18-8-4-2-5-9-18)21(25)19-10-6-3-7-11-19/h2-15H,1H3/b23-16+,24-20-
InChIKeyNYUFOZPMJGUISG-QWMKXMQISA-N
XLogP4.18
TPSA54.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', '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 (2Z)-1,2-diphenyl-2-[(E)-1-pyridin-4-ylethylidenehydrazinylidene]ethanone?
The IUPAC name of (2Z)-1,2-diphenyl-2-[(E)-1-pyridin-4-ylethylidenehydrazinylidene]ethanone (CID 50932502) is (2Z)-1,2-diphenyl-2-[(E)-1-pyridin-4-ylethylidenehydrazinylidene]ethanone.
What is the SMILES notation for (2Z)-1,2-diphenyl-2-[(E)-1-pyridin-4-ylethylidenehydrazinylidene]ethanone?
The canonical SMILES for (2Z)-1,2-diphenyl-2-[(E)-1-pyridin-4-ylethylidenehydrazinylidene]ethanone is C/C(=N\N=C(/C(=O)c1ccccc1)c1ccccc1)c1ccncc1.
What is the InChIKey of (2Z)-1,2-diphenyl-2-[(E)-1-pyridin-4-ylethylidenehydrazinylidene]ethanone?
The InChIKey is NYUFOZPMJGUISG-QWMKXMQISA-N. The full InChI is InChI=1S/C21H17N3O/c1-16(17-12-14-22-15-13-17)23-24-20(18-8-4-2-5-9-18)21(25)19-10-6-3-7-11-19/h2-15H,1H3/b23-16+,24-20-.
What are the key properties of (2Z)-1,2-diphenyl-2-[(E)-1-pyridin-4-ylethylidenehydrazinylidene]ethanone?
(2Z)-1,2-diphenyl-2-[(E)-1-pyridin-4-ylethylidenehydrazinylidene]ethanone has a molecular weight of 327.39 g/mol, XLogP of 4.18, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-1,2-diphenyl-2-[(E)-1-pyridin-4-ylethylidenehydrazinylidene]ethanone is sourced from PubChem (CID 50932502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).