3-hydrazinyl-5-nitro-2,4-diphenylaniline

C18H16N4O2 — CID 18954135

IUPAC3-hydrazinyl-5-nitro-2,4-diphenylaniline
SMILESNNc1c(-c2ccccc2)c(N)cc([N+](=O)[O-])c1-c1ccccc1
InChIInChI=1S/C18H16N4O2/c19-14-11-15(22(23)24)17(13-9-5-2-6-10-13)18(21-20)16(14)12-7-3-1-4-8-12/h1-11,21H,19-20H2
InChIKeyIMGAYHVYDAMQMB-UHFFFAOYSA-N
MW320.35 g/mol
LogP3.80
Rot. Bonds4

About 3-hydrazinyl-5-nitro-2,4-diphenylaniline

3-hydrazinyl-5-nitro-2,4-diphenylaniline (PubChem CID 18954135) has the molecular formula C18H16N4O2 and a molecular weight of 320.35 g/mol. Its IUPAC name is 3-hydrazinyl-5-nitro-2,4-diphenylaniline.

Molecular Properties

Compound Name3-hydrazinyl-5-nitro-2,4-diphenylaniline
PubChem CID18954135
Molecular FormulaC18H16N4O2
Molecular Weight320.35 g/mol
Exact Mass320.13
IUPAC Name3-hydrazinyl-5-nitro-2,4-diphenylaniline
SMILESNNc1c(-c2ccccc2)c(N)cc([N+](=O)[O-])c1-c1ccccc1
InChIInChI=1S/C18H16N4O2/c19-14-11-15(22(23)24)17(13-9-5-2-6-10-13)18(21-20)16(14)12-7-3-1-4-8-12/h1-11,21H,19-20H2
InChIKeyIMGAYHVYDAMQMB-UHFFFAOYSA-N
XLogP3.80
TPSA107.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 53.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'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 3-hydrazinyl-5-nitro-2,4-diphenylaniline?
The IUPAC name of 3-hydrazinyl-5-nitro-2,4-diphenylaniline (CID 18954135) is 3-hydrazinyl-5-nitro-2,4-diphenylaniline.
What is the SMILES notation for 3-hydrazinyl-5-nitro-2,4-diphenylaniline?
The canonical SMILES for 3-hydrazinyl-5-nitro-2,4-diphenylaniline is NNc1c(-c2ccccc2)c(N)cc([N+](=O)[O-])c1-c1ccccc1.
What is the InChIKey of 3-hydrazinyl-5-nitro-2,4-diphenylaniline?
The InChIKey is IMGAYHVYDAMQMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2/c19-14-11-15(22(23)24)17(13-9-5-2-6-10-13)18(21-20)16(14)12-7-3-1-4-8-12/h1-11,21H,19-20H2.
What are the key properties of 3-hydrazinyl-5-nitro-2,4-diphenylaniline?
3-hydrazinyl-5-nitro-2,4-diphenylaniline has a molecular weight of 320.35 g/mol, XLogP of 3.80, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydrazinyl-5-nitro-2,4-diphenylaniline is sourced from PubChem (CID 18954135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).