(4Z)-4-[[4-[4-[(2Z)-2-[3-(C-hydroxy-N-phenylcarbonimidoyl)-2-oxonaphthalen-1-ylidene]hydrazinyl]-3-methoxyphenyl]-2-methoxyphenyl]hydrazinylidene]-3-oxo-N-phenylnaphthalene-2-carboximidic acid

C48H36N6O6 — CID 172916888

About (4Z)-4-[[4-[4-[(2Z)-2-[3-(C-hydroxy-N-phenylcarbonimidoyl)-2-oxonaphthalen-1-ylidene]hydrazinyl]-3-methoxyphenyl]-2-methoxyphenyl]hydrazinylidene]-3-oxo-N-phenylnaphthalene-2-carboximidic acid

(4Z)-4-[[4-[4-[(2Z)-2-[3-(C-hydroxy-N-phenylcarbonimidoyl)-2-oxonaphthalen-1-ylidene]hydrazinyl]-3-methoxyphenyl]-2-methoxyphenyl]hydrazinylidene]-3-oxo-N-phenylnaphthalene-2-carboximidic acid (PubChem CID 172916888) has the molecular formula C48H36N6O6 and a molecular weight of 792.85 g/mol. Its IUPAC name is (4Z)-4-[[4-[4-[(2Z)-2-[3-(C-hydroxy-N-phenylcarbonimidoyl)-2-oxonaphthalen-1-ylidene]hydrazinyl]-3-methoxyphenyl]-2-methoxyphenyl]hydrazinylidene]-3-oxo-N-phenylnaphthalene-2-carboximidic acid.

Molecular Properties

• Compound Name: (4Z)-4-[[4-[4-[(2Z)-2-[3-(C-hydroxy-N-phenylcarbonimidoyl)-2-oxonaphthalen-1-ylidene]hydrazinyl]-3-methoxyphenyl]-2-methoxyphenyl]hydrazinylidene]-3-oxo-N-phenylnaphthalene-2-carboximidic acid
• PubChem CID: 172916888
• Molecular Formula: C48H36N6O6
• Molecular Weight: 792.85 g/mol
• Exact Mass: 792.27
• IUPAC Name: (4Z)-4-[[4-[4-[(2Z)-2-[3-(C-hydroxy-N-phenylcarbonimidoyl)-2-oxonaphthalen-1-ylidene]hydrazinyl]-3-methoxyphenyl]-2-methoxyphenyl]hydrazinylidene]-3-oxo-N-phenylnaphthalene-2-carboximidic acid
• SMILES: COc1cc(-c2ccc(N/N=C3\C(=O)C(/C(O)=N/c4ccccc4)=Cc4ccccc43)c(OC)c2)ccc1N/N=C1\C(=O)C(/C(O)=N/c2ccccc2)=Cc2ccccc21
• InChI: InChI=1S/C48H36N6O6/c1-59-41-27-29(21-23-39(41)51-53-43-35-19-11-9-13-31(35)25-37(45(43)55)47(57)49-33-15-5-3-6-16-33)30-22-24-40(42(28-30)60-2)52-54-44-36-20-12-10-14-32(36)26-38(46(44)56)48(58)50-34-17-7-4-8-18-34/h3-28,51-52H,1-2H3,(H,49,57)(H,50,58)/b53-43-,54-44-
• InChIKey: DEHFRANWHKCHER-GORHBSFGSA-N
• XLogP: 9.51
• TPSA: 166.56 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 11
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	792.85
LogP ≤ 5	9.51
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-[[4-[4-[(2Z)-2-[3-(C-hydroxy-N-phenylcarbonimidoyl)-2-oxonaphthalen-1-ylidene]hydrazinyl]-3-methoxyphenyl]-2-methoxyphenyl]hydrazinylidene]-3-oxo-N-phenylnaphthalene-2-carboximidic acid?

The IUPAC name of (4Z)-4-[[4-[4-[(2Z)-2-[3-(C-hydroxy-N-phenylcarbonimidoyl)-2-oxonaphthalen-1-ylidene]hydrazinyl]-3-methoxyphenyl]-2-methoxyphenyl]hydrazinylidene]-3-oxo-N-phenylnaphthalene-2-carboximidic acid (CID 172916888) is (4Z)-4-[[4-[4-[(2Z)-2-[3-(C-hydroxy-N-phenylcarbonimidoyl)-2-oxonaphthalen-1-ylidene]hydrazinyl]-3-methoxyphenyl]-2-methoxyphenyl]hydrazinylidene]-3-oxo-N-phenylnaphthalene-2-carboximidic acid.

What is the SMILES notation for (4Z)-4-[[4-[4-[(2Z)-2-[3-(C-hydroxy-N-phenylcarbonimidoyl)-2-oxonaphthalen-1-ylidene]hydrazinyl]-3-methoxyphenyl]-2-methoxyphenyl]hydrazinylidene]-3-oxo-N-phenylnaphthalene-2-carboximidic acid?

The canonical SMILES for (4Z)-4-[[4-[4-[(2Z)-2-[3-(C-hydroxy-N-phenylcarbonimidoyl)-2-oxonaphthalen-1-ylidene]hydrazinyl]-3-methoxyphenyl]-2-methoxyphenyl]hydrazinylidene]-3-oxo-N-phenylnaphthalene-2-carboximidic acid is COc1cc(-c2ccc(N/N=C3\C(=O)C(/C(O)=N/c4ccccc4)=Cc4ccccc43)c(OC)c2)ccc1N/N=C1\C(=O)C(/C(O)=N/c2ccccc2)=Cc2ccccc21.

What is the InChIKey of (4Z)-4-[[4-[4-[(2Z)-2-[3-(C-hydroxy-N-phenylcarbonimidoyl)-2-oxonaphthalen-1-ylidene]hydrazinyl]-3-methoxyphenyl]-2-methoxyphenyl]hydrazinylidene]-3-oxo-N-phenylnaphthalene-2-carboximidic acid?

The InChIKey is DEHFRANWHKCHER-GORHBSFGSA-N. The full InChI is InChI=1S/C48H36N6O6/c1-59-41-27-29(21-23-39(41)51-53-43-35-19-11-9-13-31(35)25-37(45(43)55)47(57)49-33-15-5-3-6-16-33)30-22-24-40(42(28-30)60-2)52-54-44-36-20-12-10-14-32(36)26-38(46(44)56)48(58)50-34-17-7-4-8-18-34/h3-28,51-52H,1-2H3,(H,49,57)(H,50,58)/b53-43-,54-44-.

What are the key properties of (4Z)-4-[[4-[4-[(2Z)-2-[3-(C-hydroxy-N-phenylcarbonimidoyl)-2-oxonaphthalen-1-ylidene]hydrazinyl]-3-methoxyphenyl]-2-methoxyphenyl]hydrazinylidene]-3-oxo-N-phenylnaphthalene-2-carboximidic acid?

(4Z)-4-[[4-[4-[(2Z)-2-[3-(C-hydroxy-N-phenylcarbonimidoyl)-2-oxonaphthalen-1-ylidene]hydrazinyl]-3-methoxyphenyl]-2-methoxyphenyl]hydrazinylidene]-3-oxo-N-phenylnaphthalene-2-carboximidic acid has a molecular weight of 792.85 g/mol, XLogP of 9.51, 11 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (4Z)-4-[[4-[4-[(2Z)-2-[3-(C-hydroxy-N-phenylcarbonimidoyl)-2-oxonaphthalen-1-ylidene]hydrazinyl]-3-methoxyphenyl]-2-methoxyphenyl]hydrazinylidene]-3-oxo-N-phenylnaphthalene-2-carboximidic acid is sourced from PubChem (CID 172916888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).