(2E)-2-[bis(4-methylphenoxy)phosphorylhydrazinylidene]-1,2-diphenylethanone

C28H25N2O4P — CID 6322700

IUPAC(2E)-2-[bis(4-methylphenoxy)phosphorylhydrazinylidene]-1,2-diphenylethanone
SMILESCc1ccc(OP(=O)(N/N=C(/C(=O)c2ccccc2)c2ccccc2)Oc2ccc(C)cc2)cc1
InChIInChI=1S/C28H25N2O4P/c1-21-13-17-25(18-14-21)33-35(32,34-26-19-15-22(2)16-20-26)30-29-27(23-9-5-3-6-10-23)28(31)24-11-7-4-8-12-24/h3-20H,1-2H3,(H,30,32)/b29-27+
InChIKeyOWVGIMMYTNDXHE-ORIPQNMZSA-N
MW484.49 g/mol
LogP6.75
Rot. Bonds9

About (2E)-2-[bis(4-methylphenoxy)phosphorylhydrazinylidene]-1,2-diphenylethanone

(2E)-2-[bis(4-methylphenoxy)phosphorylhydrazinylidene]-1,2-diphenylethanone (PubChem CID 6322700) has the molecular formula C28H25N2O4P and a molecular weight of 484.49 g/mol. Its IUPAC name is (2E)-2-[bis(4-methylphenoxy)phosphorylhydrazinylidene]-1,2-diphenylethanone.

Molecular Properties

Compound Name(2E)-2-[bis(4-methylphenoxy)phosphorylhydrazinylidene]-1,2-diphenylethanone
PubChem CID6322700
Molecular FormulaC28H25N2O4P
Molecular Weight484.49 g/mol
Exact Mass484.16
IUPAC Name(2E)-2-[bis(4-methylphenoxy)phosphorylhydrazinylidene]-1,2-diphenylethanone
SMILESCc1ccc(OP(=O)(N/N=C(/C(=O)c2ccccc2)c2ccccc2)Oc2ccc(C)cc2)cc1
InChIInChI=1S/C28H25N2O4P/c1-21-13-17-25(18-14-21)33-35(32,34-26-19-15-22(2)16-20-26)30-29-27(23-9-5-3-6-10-23)28(31)24-11-7-4-8-12-24/h3-20H,1-2H3,(H,30,32)/b29-27+
InChIKeyOWVGIMMYTNDXHE-ORIPQNMZSA-N
XLogP6.75
TPSA76.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.49
LogP ≤ 56.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

(E)-4-bis(4-methylphenoxy)phosphoryl-4-fluoro-1,3-diphenylbut-3-en-1-one
CID 175548493
phosphane;toluene;tris(4-methylphenyl) phosphate
CID 174780214
[hydroxy(phenoxy)phosphoryl] bis(4-methylphenyl) phosphate
CID 87480708
4-[hydroxy-(4-methylphenoxy)phosphoryl]oxybenzoic acid
CID 71331221
N-[(E)-(2-oxo-1,2-diphenylethylidene)amino]benzenecarbothioamide
CID 56697878
N-(benzhydrylideneamino)-2-(4-methylphenyl)-2-oxoacetamide
CID 134030110
propan-2-one;tris(4-methylphenyl) phosphate
CID 174813500
(4-methylphenyl) [4-(3-oxo-3-phenylpropyl)phenyl] hydrogen phosphate
CID 21410631
(4-methylphenyl) dihydrogen phosphate;1,2-xylene
CID 175436066
2-[(3-chloro-4-methylphenyl)hydrazinylidene]-1,2-diphenylethanone
CID 3415921
formaldehyde;(4-methylphenyl) benzoate
CID 143467602
2-methyl-N-[(2-methylanilino)-(4-methylphenoxy)phosphoryl]aniline
CID 139079164

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[bis(4-methylphenoxy)phosphorylhydrazinylidene]-1,2-diphenylethanone?
The IUPAC name of (2E)-2-[bis(4-methylphenoxy)phosphorylhydrazinylidene]-1,2-diphenylethanone (CID 6322700) is (2E)-2-[bis(4-methylphenoxy)phosphorylhydrazinylidene]-1,2-diphenylethanone.
What is the SMILES notation for (2E)-2-[bis(4-methylphenoxy)phosphorylhydrazinylidene]-1,2-diphenylethanone?
The canonical SMILES for (2E)-2-[bis(4-methylphenoxy)phosphorylhydrazinylidene]-1,2-diphenylethanone is Cc1ccc(OP(=O)(N/N=C(/C(=O)c2ccccc2)c2ccccc2)Oc2ccc(C)cc2)cc1.
What is the InChIKey of (2E)-2-[bis(4-methylphenoxy)phosphorylhydrazinylidene]-1,2-diphenylethanone?
The InChIKey is OWVGIMMYTNDXHE-ORIPQNMZSA-N. The full InChI is InChI=1S/C28H25N2O4P/c1-21-13-17-25(18-14-21)33-35(32,34-26-19-15-22(2)16-20-26)30-29-27(23-9-5-3-6-10-23)28(31)24-11-7-4-8-12-24/h3-20H,1-2H3,(H,30,32)/b29-27+.
What are the key properties of (2E)-2-[bis(4-methylphenoxy)phosphorylhydrazinylidene]-1,2-diphenylethanone?
(2E)-2-[bis(4-methylphenoxy)phosphorylhydrazinylidene]-1,2-diphenylethanone has a molecular weight of 484.49 g/mol, XLogP of 6.75, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[bis(4-methylphenoxy)phosphorylhydrazinylidene]-1,2-diphenylethanone is sourced from PubChem (CID 6322700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).