(2Z)-2-[(2,4-dinitrophenyl)hydrazinylidene]-2-(1H-indol-3-yl)-N',N'-diphenylacetohydrazide

C28H21N7O5 — CID 135650486

About (2Z)-2-[(2,4-dinitrophenyl)hydrazinylidene]-2-(1H-indol-3-yl)-N',N'-diphenylacetohydrazide

(2Z)-2-[(2,4-dinitrophenyl)hydrazinylidene]-2-(1H-indol-3-yl)-N',N'-diphenylacetohydrazide (PubChem CID 135650486) has the molecular formula C28H21N7O5 and a molecular weight of 535.52 g/mol. Its IUPAC name is (2Z)-2-[(2,4-dinitrophenyl)hydrazinylidene]-2-(1H-indol-3-yl)-N',N'-diphenylacetohydrazide.

Molecular Properties

• Compound Name: (2Z)-2-[(2,4-dinitrophenyl)hydrazinylidene]-2-(1H-indol-3-yl)-N',N'-diphenylacetohydrazide
• PubChem CID: 135650486
• Molecular Formula: C28H21N7O5
• Molecular Weight: 535.52 g/mol
• Exact Mass: 535.16
• IUPAC Name: (2Z)-2-[(2,4-dinitrophenyl)hydrazinylidene]-2-(1H-indol-3-yl)-N',N'-diphenylacetohydrazide
• SMILES: O=C(NN(c1ccccc1)c1ccccc1)/C(=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1c[nH]c2ccccc12
• InChI: InChI=1S/C28H21N7O5/c36-28(32-33(19-9-3-1-4-10-19)20-11-5-2-6-12-20)27(23-18-29-24-14-8-7-13-22(23)24)31-30-25-16-15-21(34(37)38)17-26(25)35(39)40/h1-18,29-30H,(H,32,36)/b31-27-
• InChIKey: HJHDCEQCNMSTGF-QVTSOHHYSA-N
• XLogP: 5.67
• TPSA: 158.80 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	535.52
LogP ≤ 5	5.67
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(2,4-dinitrophenyl)hydrazinylidene]-2-(1H-indol-3-yl)-N',N'-diphenylacetohydrazide?

The IUPAC name of (2Z)-2-[(2,4-dinitrophenyl)hydrazinylidene]-2-(1H-indol-3-yl)-N',N'-diphenylacetohydrazide (CID 135650486) is (2Z)-2-[(2,4-dinitrophenyl)hydrazinylidene]-2-(1H-indol-3-yl)-N',N'-diphenylacetohydrazide.

What is the SMILES notation for (2Z)-2-[(2,4-dinitrophenyl)hydrazinylidene]-2-(1H-indol-3-yl)-N',N'-diphenylacetohydrazide?

The canonical SMILES for (2Z)-2-[(2,4-dinitrophenyl)hydrazinylidene]-2-(1H-indol-3-yl)-N',N'-diphenylacetohydrazide is O=C(NN(c1ccccc1)c1ccccc1)/C(=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1c[nH]c2ccccc12.

What is the InChIKey of (2Z)-2-[(2,4-dinitrophenyl)hydrazinylidene]-2-(1H-indol-3-yl)-N',N'-diphenylacetohydrazide?

The InChIKey is HJHDCEQCNMSTGF-QVTSOHHYSA-N. The full InChI is InChI=1S/C28H21N7O5/c36-28(32-33(19-9-3-1-4-10-19)20-11-5-2-6-12-20)27(23-18-29-24-14-8-7-13-22(23)24)31-30-25-16-15-21(34(37)38)17-26(25)35(39)40/h1-18,29-30H,(H,32,36)/b31-27-.

What are the key properties of (2Z)-2-[(2,4-dinitrophenyl)hydrazinylidene]-2-(1H-indol-3-yl)-N',N'-diphenylacetohydrazide?

(2Z)-2-[(2,4-dinitrophenyl)hydrazinylidene]-2-(1H-indol-3-yl)-N',N'-diphenylacetohydrazide has a molecular weight of 535.52 g/mol, XLogP of 5.67, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2Z)-2-[(2,4-dinitrophenyl)hydrazinylidene]-2-(1H-indol-3-yl)-N',N'-diphenylacetohydrazide is sourced from PubChem (CID 135650486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).