2-[1-(4-tert-butylphenyl)ethylidenehydrazinylidene]-1,2-diphenylethanone

C26H26N2O — CID 3524909

IUPAC2-[1-(4-tert-butylphenyl)ethylidenehydrazinylidene]-1,2-diphenylethanone
SMILESCC(=NN=C(C(=O)c1ccccc1)c1ccccc1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C26H26N2O/c1-19(20-15-17-23(18-16-20)26(2,3)4)27-28-24(21-11-7-5-8-12-21)25(29)22-13-9-6-10-14-22/h5-18H,1-4H3
InChIKeyIWJRGYZCWJEGNV-UHFFFAOYSA-N
MW382.51 g/mol
LogP6.08
Rot. Bonds5

About 2-[1-(4-tert-butylphenyl)ethylidenehydrazinylidene]-1,2-diphenylethanone

2-[1-(4-tert-butylphenyl)ethylidenehydrazinylidene]-1,2-diphenylethanone (PubChem CID 3524909) has the molecular formula C26H26N2O and a molecular weight of 382.51 g/mol. Its IUPAC name is 2-[1-(4-tert-butylphenyl)ethylidenehydrazinylidene]-1,2-diphenylethanone.

Molecular Properties

Compound Name2-[1-(4-tert-butylphenyl)ethylidenehydrazinylidene]-1,2-diphenylethanone
PubChem CID3524909
Molecular FormulaC26H26N2O
Molecular Weight382.51 g/mol
Exact Mass382.20
IUPAC Name2-[1-(4-tert-butylphenyl)ethylidenehydrazinylidene]-1,2-diphenylethanone
SMILESCC(=NN=C(C(=O)c1ccccc1)c1ccccc1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C26H26N2O/c1-19(20-15-17-23(18-16-20)26(2,3)4)27-28-24(21-11-7-5-8-12-21)25(29)22-13-9-6-10-14-22/h5-18H,1-4H3
InChIKeyIWJRGYZCWJEGNV-UHFFFAOYSA-N
XLogP6.08
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.51
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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Related Compounds

(2Z)-1,2-diphenyl-2-[(E)-1-pyridin-4-ylethylidenehydrazinylidene]ethanone
CID 50932502
(2Z)-1,2-diphenyl-2-[(Z)-1-pyridin-3-ylethylidenehydrazinylidene]ethanone
CID 6524389
N-[3-[(Z)-C-methyl-N-[(Z)-(2-oxo-1,2-diphenylethylidene)amino]carbonimidoyl]phenyl]acetamide
CID 9074410
(2Z)-2-[(Z)-1-(5-methylfuran-2-yl)ethylidenehydrazinylidene]-1,2-diphenylethanone
CID 7612621
(2E)-2-[(E)-1-(4-chloro-3-nitrophenyl)ethylidenehydrazinylidene]-1,2-diphenylethanone
CID 18207176
2-[1-(4-methyl-1,3-thiazol-5-yl)ethylidenehydrazinylidene]-1,2-diphenylethanone
CID 126810323
2-[3-[(Z)-C-methyl-N-[(Z)-(2-oxo-1,2-diphenylethylidene)amino]carbonimidoyl]phenoxy]acetate
CID 9074352
2,3-bis(4-tert-butylbenzoyl)-1,4-bis(4-tert-butylphenyl)but-2-ene-1,4-dione
CID 15471929
N-[1-(4-tert-butylphenyl)ethylideneamino]benzenesulfonamide
CID 3418531
2-[C-methyl-N-(1-phenylethylideneamino)carbonimidoyl]benzoic acid
CID 90730243
[(2E)-2-[(E)-(2-oxo-1,2-diphenylethylidene)hydrazinylidene]propyl]-triphenylphosphanium;hydrobromide
CID 126958888
N-tert-butyl-N-(4-tert-butylphenyl)benzamide
CID 517588

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-tert-butylphenyl)ethylidenehydrazinylidene]-1,2-diphenylethanone?
The IUPAC name of 2-[1-(4-tert-butylphenyl)ethylidenehydrazinylidene]-1,2-diphenylethanone (CID 3524909) is 2-[1-(4-tert-butylphenyl)ethylidenehydrazinylidene]-1,2-diphenylethanone.
What is the SMILES notation for 2-[1-(4-tert-butylphenyl)ethylidenehydrazinylidene]-1,2-diphenylethanone?
The canonical SMILES for 2-[1-(4-tert-butylphenyl)ethylidenehydrazinylidene]-1,2-diphenylethanone is CC(=NN=C(C(=O)c1ccccc1)c1ccccc1)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 2-[1-(4-tert-butylphenyl)ethylidenehydrazinylidene]-1,2-diphenylethanone?
The InChIKey is IWJRGYZCWJEGNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O/c1-19(20-15-17-23(18-16-20)26(2,3)4)27-28-24(21-11-7-5-8-12-21)25(29)22-13-9-6-10-14-22/h5-18H,1-4H3.
What are the key properties of 2-[1-(4-tert-butylphenyl)ethylidenehydrazinylidene]-1,2-diphenylethanone?
2-[1-(4-tert-butylphenyl)ethylidenehydrazinylidene]-1,2-diphenylethanone has a molecular weight of 382.51 g/mol, XLogP of 6.08, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-tert-butylphenyl)ethylidenehydrazinylidene]-1,2-diphenylethanone is sourced from PubChem (CID 3524909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).