(2E)-2-[(E)-(3,4-dihydroxyphenyl)methylidenehydrazinylidene]-1,2-diphenylethanone

C21H16N2O3 — CID 135521592

IUPAC(2E)-2-[(E)-(3,4-dihydroxyphenyl)methylidenehydrazinylidene]-1,2-diphenylethanone
SMILESO=C(/C(=N/N=C/c1ccc(O)c(O)c1)c1ccccc1)c1ccccc1
InChIInChI=1S/C21H16N2O3/c24-18-12-11-15(13-19(18)25)14-22-23-20(16-7-3-1-4-8-16)21(26)17-9-5-2-6-10-17/h1-14,24-25H/b22-14+,23-20+
InChIKeyPTPHBFWUIVDPAV-DAEAJKMYSA-N
MW344.37 g/mol
LogP3.80
Rot. Bonds5

About (2E)-2-[(E)-(3,4-dihydroxyphenyl)methylidenehydrazinylidene]-1,2-diphenylethanone

(2E)-2-[(E)-(3,4-dihydroxyphenyl)methylidenehydrazinylidene]-1,2-diphenylethanone (PubChem CID 135521592) has the molecular formula C21H16N2O3 and a molecular weight of 344.37 g/mol. Its IUPAC name is (2E)-2-[(E)-(3,4-dihydroxyphenyl)methylidenehydrazinylidene]-1,2-diphenylethanone.

Molecular Properties

Compound Name(2E)-2-[(E)-(3,4-dihydroxyphenyl)methylidenehydrazinylidene]-1,2-diphenylethanone
PubChem CID135521592
Molecular FormulaC21H16N2O3
Molecular Weight344.37 g/mol
Exact Mass344.12
IUPAC Name(2E)-2-[(E)-(3,4-dihydroxyphenyl)methylidenehydrazinylidene]-1,2-diphenylethanone
SMILESO=C(/C(=N/N=C/c1ccc(O)c(O)c1)c1ccccc1)c1ccccc1
InChIInChI=1S/C21H16N2O3/c24-18-12-11-15(13-19(18)25)14-22-23-20(16-7-3-1-4-8-16)21(26)17-9-5-2-6-10-17/h1-14,24-25H/b22-14+,23-20+
InChIKeyPTPHBFWUIVDPAV-DAEAJKMYSA-N
XLogP3.80
TPSA82.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(2E)-1,2-diphenyl-2-[(E)-(2,3,4-trihydroxyphenyl)methylidenehydrazinylidene]ethanone
CID 135401318
(2E)-2-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylidenehydrazinylidene]-1,2-diphenylethanone
CID 135401322
(E)-3-(3,4-dihydroxyphenyl)-1-(4-phenylphenyl)prop-2-en-1-one
CID 171345883
(2Z)-2-[(Z)-(2-hydroxynaphthalen-1-yl)methylidenehydrazinylidene]-1,2-diphenylethanone
CID 135884923
N'-[(E)-(3,4-dihydroxyphenyl)methylidene]biphenyl-4-carbohydrazide
CID 135421668
2-{(Z)-2-[(E)-1-(2-Hydroxyphenyl)methylidene]hydrazono}-1,2-diphenylethan-1-one
CID 135445495
(2Z)-2-[(2-hydroxynaphthalen-1-yl)methylidenehydrazinylidene]-1,2-diphenylethanone
CID 172917697
3-[(Benzhydrylidenehydrazinylidene)methyl]benzene-1,2-diol
CID 2127680
2-[(3,4-Dihydroxyphenyl)methylidenehydrazinylidene]-1,2-diphenylethanone
CID 2350531
1,2-Diphenyl-2-[(2,3,4-trihydroxyphenyl)methylidenehydrazinylidene]ethanone
CID 2385504
2-[(4-Hydroxy-3,5-dimethoxyphenyl)methylidenehydrazinylidene]-1,2-diphenylethanone
CID 4444188
(2Z)-2-[(E)-(3-hydroxy-4-methoxyphenyl)methylidenehydrazinylidene]-1,2-diphenylethanone
CID 6908484

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(E)-(3,4-dihydroxyphenyl)methylidenehydrazinylidene]-1,2-diphenylethanone?
The IUPAC name of (2E)-2-[(E)-(3,4-dihydroxyphenyl)methylidenehydrazinylidene]-1,2-diphenylethanone (CID 135521592) is (2E)-2-[(E)-(3,4-dihydroxyphenyl)methylidenehydrazinylidene]-1,2-diphenylethanone.
What is the SMILES notation for (2E)-2-[(E)-(3,4-dihydroxyphenyl)methylidenehydrazinylidene]-1,2-diphenylethanone?
The canonical SMILES for (2E)-2-[(E)-(3,4-dihydroxyphenyl)methylidenehydrazinylidene]-1,2-diphenylethanone is O=C(/C(=N/N=C/c1ccc(O)c(O)c1)c1ccccc1)c1ccccc1.
What is the InChIKey of (2E)-2-[(E)-(3,4-dihydroxyphenyl)methylidenehydrazinylidene]-1,2-diphenylethanone?
The InChIKey is PTPHBFWUIVDPAV-DAEAJKMYSA-N. The full InChI is InChI=1S/C21H16N2O3/c24-18-12-11-15(13-19(18)25)14-22-23-20(16-7-3-1-4-8-16)21(26)17-9-5-2-6-10-17/h1-14,24-25H/b22-14+,23-20+.
What are the key properties of (2E)-2-[(E)-(3,4-dihydroxyphenyl)methylidenehydrazinylidene]-1,2-diphenylethanone?
(2E)-2-[(E)-(3,4-dihydroxyphenyl)methylidenehydrazinylidene]-1,2-diphenylethanone has a molecular weight of 344.37 g/mol, XLogP of 3.80, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(E)-(3,4-dihydroxyphenyl)methylidenehydrazinylidene]-1,2-diphenylethanone is sourced from PubChem (CID 135521592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).