(2E)-1,2-diphenyl-2-[(E)-(2,3,4-trihydroxyphenyl)methylidenehydrazinylidene]ethanone

C21H16N2O4 — CID 135401318

IUPAC(2E)-1,2-diphenyl-2-[(E)-(2,3,4-trihydroxyphenyl)methylidenehydrazinylidene]ethanone
SMILESO=C(/C(=N/N=C/c1ccc(O)c(O)c1O)c1ccccc1)c1ccccc1
InChIInChI=1S/C21H16N2O4/c24-17-12-11-16(20(26)21(17)27)13-22-23-18(14-7-3-1-4-8-14)19(25)15-9-5-2-6-10-15/h1-13,24,26-27H/b22-13+,23-18+
InChIKeyNXJQCFINFCCCIW-GDQHPZEDSA-N
MW360.37 g/mol
LogP3.51
Rot. Bonds5

About (2E)-1,2-diphenyl-2-[(E)-(2,3,4-trihydroxyphenyl)methylidenehydrazinylidene]ethanone

(2E)-1,2-diphenyl-2-[(E)-(2,3,4-trihydroxyphenyl)methylidenehydrazinylidene]ethanone (PubChem CID 135401318) has the molecular formula C21H16N2O4 and a molecular weight of 360.37 g/mol. Its IUPAC name is (2E)-1,2-diphenyl-2-[(E)-(2,3,4-trihydroxyphenyl)methylidenehydrazinylidene]ethanone.

Molecular Properties

Compound Name(2E)-1,2-diphenyl-2-[(E)-(2,3,4-trihydroxyphenyl)methylidenehydrazinylidene]ethanone
PubChem CID135401318
Molecular FormulaC21H16N2O4
Molecular Weight360.37 g/mol
Exact Mass360.11
IUPAC Name(2E)-1,2-diphenyl-2-[(E)-(2,3,4-trihydroxyphenyl)methylidenehydrazinylidene]ethanone
SMILESO=C(/C(=N/N=C/c1ccc(O)c(O)c1O)c1ccccc1)c1ccccc1
InChIInChI=1S/C21H16N2O4/c24-17-12-11-16(20(26)21(17)27)13-22-23-18(14-7-3-1-4-8-14)19(25)15-9-5-2-6-10-15/h1-13,24,26-27H/b22-13+,23-18+
InChIKeyNXJQCFINFCCCIW-GDQHPZEDSA-N
XLogP3.51
TPSA102.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 53.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'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'}

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Related Compounds

(4E)-4-[(2-benzhydrylidenehydrazinyl)methylidene]-2,3-dihydroxycyclohexa-2,5-dien-1-one
CID 135521596
(2E)-2-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylidenehydrazinylidene]-1,2-diphenylethanone
CID 135401322
(2E)-2-[(E)-(3,4-dihydroxyphenyl)methylidenehydrazinylidene]-1,2-diphenylethanone
CID 135521592
(E)-1-[3-hydroxy-5-[(E)-2-(4-hydroxyphenyl)ethenyl]phenyl]-3-(3,4,5-trihydroxyphenyl)prop-2-en-1-one
CID 76333751
2-{(Z)-2-[(E)-1-(2-Hydroxyphenyl)methylidene]hydrazono}-1,2-diphenylethan-1-one
CID 135445495
2-[(3,4-Dihydroxyphenyl)methylidenehydrazinylidene]-1,2-diphenylethanone
CID 2350531
4-[(Benzhydrylidenehydrazinylidene)methyl]benzene-1,2,3-triol
CID 2351150
1,2-Diphenyl-2-[(2,3,4-trihydroxyphenyl)methylidenehydrazinylidene]ethanone
CID 2385504
2-[(4-Hydroxy-3,5-dimethoxyphenyl)methylidenehydrazinylidene]-1,2-diphenylethanone
CID 4444188
2-[(2-Hydroxyphenyl)methylidenehydrazinylidene]-1,2-diphenylethanone
CID 694477
2-Phenyl-1-[2-[(2,3,4-trihydroxyphenyl)methyl]phenyl]ethanone
CID 140998158
Benzamide;4-methanimidoylbenzene-1,2,3-triol
CID 142869641

Frequently Asked Questions

What is the IUPAC name of (2E)-1,2-diphenyl-2-[(E)-(2,3,4-trihydroxyphenyl)methylidenehydrazinylidene]ethanone?
The IUPAC name of (2E)-1,2-diphenyl-2-[(E)-(2,3,4-trihydroxyphenyl)methylidenehydrazinylidene]ethanone (CID 135401318) is (2E)-1,2-diphenyl-2-[(E)-(2,3,4-trihydroxyphenyl)methylidenehydrazinylidene]ethanone.
What is the SMILES notation for (2E)-1,2-diphenyl-2-[(E)-(2,3,4-trihydroxyphenyl)methylidenehydrazinylidene]ethanone?
The canonical SMILES for (2E)-1,2-diphenyl-2-[(E)-(2,3,4-trihydroxyphenyl)methylidenehydrazinylidene]ethanone is O=C(/C(=N/N=C/c1ccc(O)c(O)c1O)c1ccccc1)c1ccccc1.
What is the InChIKey of (2E)-1,2-diphenyl-2-[(E)-(2,3,4-trihydroxyphenyl)methylidenehydrazinylidene]ethanone?
The InChIKey is NXJQCFINFCCCIW-GDQHPZEDSA-N. The full InChI is InChI=1S/C21H16N2O4/c24-17-12-11-16(20(26)21(17)27)13-22-23-18(14-7-3-1-4-8-14)19(25)15-9-5-2-6-10-15/h1-13,24,26-27H/b22-13+,23-18+.
What are the key properties of (2E)-1,2-diphenyl-2-[(E)-(2,3,4-trihydroxyphenyl)methylidenehydrazinylidene]ethanone?
(2E)-1,2-diphenyl-2-[(E)-(2,3,4-trihydroxyphenyl)methylidenehydrazinylidene]ethanone has a molecular weight of 360.37 g/mol, XLogP of 3.51, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-1,2-diphenyl-2-[(E)-(2,3,4-trihydroxyphenyl)methylidenehydrazinylidene]ethanone is sourced from PubChem (CID 135401318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).