1,1-dibenzyl-2-(2,4-dinitrophenyl)hydrazine

C20H18N4O4 — CID 71357903

IUPAC1,1-dibenzyl-2-(2,4-dinitrophenyl)hydrazine
SMILESO=[N+]([O-])c1ccc(NN(Cc2ccccc2)Cc2ccccc2)c([N+](=O)[O-])c1
InChIInChI=1S/C20H18N4O4/c25-23(26)18-11-12-19(20(13-18)24(27)28)21-22(14-16-7-3-1-4-8-16)15-17-9-5-2-6-10-17/h1-13,21H,14-15H2
InChIKeyNNTPPLJYDIJQIZ-UHFFFAOYSA-N
MW378.39 g/mol
LogP4.53
Rot. Bonds8

About 1,1-dibenzyl-2-(2,4-dinitrophenyl)hydrazine

1,1-dibenzyl-2-(2,4-dinitrophenyl)hydrazine (PubChem CID 71357903) has the molecular formula C20H18N4O4 and a molecular weight of 378.39 g/mol. Its IUPAC name is 1,1-dibenzyl-2-(2,4-dinitrophenyl)hydrazine.

Molecular Properties

Compound Name1,1-dibenzyl-2-(2,4-dinitrophenyl)hydrazine
PubChem CID71357903
Molecular FormulaC20H18N4O4
Molecular Weight378.39 g/mol
Exact Mass378.13
IUPAC Name1,1-dibenzyl-2-(2,4-dinitrophenyl)hydrazine
SMILESO=[N+]([O-])c1ccc(NN(Cc2ccccc2)Cc2ccccc2)c([N+](=O)[O-])c1
InChIInChI=1S/C20H18N4O4/c25-23(26)18-11-12-19(20(13-18)24(27)28)21-22(14-16-7-3-1-4-8-16)15-17-9-5-2-6-10-17/h1-13,21H,14-15H2
InChIKeyNNTPPLJYDIJQIZ-UHFFFAOYSA-N
XLogP4.53
TPSA101.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.39
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1-dibenzyl-2-(2,4-dinitrophenyl)hydrazine?
The IUPAC name of 1,1-dibenzyl-2-(2,4-dinitrophenyl)hydrazine (CID 71357903) is 1,1-dibenzyl-2-(2,4-dinitrophenyl)hydrazine.
What is the SMILES notation for 1,1-dibenzyl-2-(2,4-dinitrophenyl)hydrazine?
The canonical SMILES for 1,1-dibenzyl-2-(2,4-dinitrophenyl)hydrazine is O=[N+]([O-])c1ccc(NN(Cc2ccccc2)Cc2ccccc2)c([N+](=O)[O-])c1.
What is the InChIKey of 1,1-dibenzyl-2-(2,4-dinitrophenyl)hydrazine?
The InChIKey is NNTPPLJYDIJQIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O4/c25-23(26)18-11-12-19(20(13-18)24(27)28)21-22(14-16-7-3-1-4-8-16)15-17-9-5-2-6-10-17/h1-13,21H,14-15H2.
What are the key properties of 1,1-dibenzyl-2-(2,4-dinitrophenyl)hydrazine?
1,1-dibenzyl-2-(2,4-dinitrophenyl)hydrazine has a molecular weight of 378.39 g/mol, XLogP of 4.53, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dibenzyl-2-(2,4-dinitrophenyl)hydrazine is sourced from PubChem (CID 71357903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).