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

C21H16N2O4 — CID 2385504

IUPAC1,2-diphenyl-2-[(2,3,4-trihydroxyphenyl)methylidenehydrazinylidene]ethanone
SMILESO=C(C(=NN=Cc1ccc(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
InChIKeyNXJQCFINFCCCIW-UHFFFAOYSA-N
MW360.37 g/mol
LogP3.51
Rot. Bonds5

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

1,2-diphenyl-2-[(2,3,4-trihydroxyphenyl)methylidenehydrazinylidene]ethanone (PubChem CID 2385504) has the molecular formula C21H16N2O4 and a molecular weight of 360.37 g/mol. Its IUPAC name is 1,2-diphenyl-2-[(2,3,4-trihydroxyphenyl)methylidenehydrazinylidene]ethanone.

Molecular Properties

Compound Name1,2-diphenyl-2-[(2,3,4-trihydroxyphenyl)methylidenehydrazinylidene]ethanone
PubChem CID2385504
Molecular FormulaC21H16N2O4
Molecular Weight360.37 g/mol
Exact Mass360.11
IUPAC Name1,2-diphenyl-2-[(2,3,4-trihydroxyphenyl)methylidenehydrazinylidene]ethanone
SMILESO=C(C(=NN=Cc1ccc(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
InChIKeyNXJQCFINFCCCIW-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of 1,2-diphenyl-2-[(2,3,4-trihydroxyphenyl)methylidenehydrazinylidene]ethanone?
The IUPAC name of 1,2-diphenyl-2-[(2,3,4-trihydroxyphenyl)methylidenehydrazinylidene]ethanone (CID 2385504) is 1,2-diphenyl-2-[(2,3,4-trihydroxyphenyl)methylidenehydrazinylidene]ethanone.
What is the SMILES notation for 1,2-diphenyl-2-[(2,3,4-trihydroxyphenyl)methylidenehydrazinylidene]ethanone?
The canonical SMILES for 1,2-diphenyl-2-[(2,3,4-trihydroxyphenyl)methylidenehydrazinylidene]ethanone is O=C(C(=NN=Cc1ccc(O)c(O)c1O)c1ccccc1)c1ccccc1.
What is the InChIKey of 1,2-diphenyl-2-[(2,3,4-trihydroxyphenyl)methylidenehydrazinylidene]ethanone?
The InChIKey is NXJQCFINFCCCIW-UHFFFAOYSA-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.
What are the key properties of 1,2-diphenyl-2-[(2,3,4-trihydroxyphenyl)methylidenehydrazinylidene]ethanone?
1,2-diphenyl-2-[(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 1,2-diphenyl-2-[(2,3,4-trihydroxyphenyl)methylidenehydrazinylidene]ethanone is sourced from PubChem (CID 2385504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).