hydron;bis(4-[(2-hydroxynaphthalen-1-yl)hydrazinylidene]-7-nitro-3-oxonaphthalene-1-sulfonic acid);zinc

C40H30N6O14S2Zn+4 — CID 122361707

About hydron;bis(4-[(2-hydroxynaphthalen-1-yl)hydrazinylidene]-7-nitro-3-oxonaphthalene-1-sulfonic acid);zinc

hydron;bis(4-[(2-hydroxynaphthalen-1-yl)hydrazinylidene]-7-nitro-3-oxonaphthalene-1-sulfonic acid);zinc (PubChem CID 122361707) has the molecular formula C40H30N6O14S2Zn+4 and a molecular weight of 948.23 g/mol. Its IUPAC name is hydron;bis(4-[(2-hydroxynaphthalen-1-yl)hydrazinylidene]-7-nitro-3-oxonaphthalene-1-sulfonic acid);zinc.

Molecular Properties

• Compound Name: hydron;bis(4-[(2-hydroxynaphthalen-1-yl)hydrazinylidene]-7-nitro-3-oxonaphthalene-1-sulfonic acid);zinc
• PubChem CID: 122361707
• Molecular Formula: C40H30N6O14S2Zn+4
• Molecular Weight: 948.23 g/mol
• Exact Mass: 946.05
• IUPAC Name: hydron;bis(4-[(2-hydroxynaphthalen-1-yl)hydrazinylidene]-7-nitro-3-oxonaphthalene-1-sulfonic acid);zinc
• SMILES: O=C1C=C(S(=O)(=O)O)c2cc([N+](=O)[O-])ccc2C1=NNc1c(O)ccc2ccccc12.O=C1C=C(S(=O)(=O)O)c2cc([N+](=O)[O-])ccc2C1=NNc1c(O)ccc2ccccc12.[H+].[H+].[H+].[H+].[Zn]
• InChI: InChI=1S/2C20H13N3O7S.Zn/c2*24-16-8-5-11-3-1-2-4-13(11)19(16)21-22-20-14-7-6-12(23(26)27)9-15(14)18(10-17(20)25)31(28,29)30;/h2*1-10,21,24H,(H,28,29,30);/p+4
• InChIKey: RTKUPFXLCZUZRM-UHFFFAOYSA-R
• XLogP: 6.61
• TPSA: 318.40 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 16
• Rotatable Bonds: 8
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	948.23
LogP ≤ 5	6.61
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of hydron;bis(4-[(2-hydroxynaphthalen-1-yl)hydrazinylidene]-7-nitro-3-oxonaphthalene-1-sulfonic acid);zinc?

The IUPAC name of hydron;bis(4-[(2-hydroxynaphthalen-1-yl)hydrazinylidene]-7-nitro-3-oxonaphthalene-1-sulfonic acid);zinc (CID 122361707) is hydron;bis(4-[(2-hydroxynaphthalen-1-yl)hydrazinylidene]-7-nitro-3-oxonaphthalene-1-sulfonic acid);zinc.

What is the SMILES notation for hydron;bis(4-[(2-hydroxynaphthalen-1-yl)hydrazinylidene]-7-nitro-3-oxonaphthalene-1-sulfonic acid);zinc?

The canonical SMILES for hydron;bis(4-[(2-hydroxynaphthalen-1-yl)hydrazinylidene]-7-nitro-3-oxonaphthalene-1-sulfonic acid);zinc is O=C1C=C(S(=O)(=O)O)c2cc([N+](=O)[O-])ccc2C1=NNc1c(O)ccc2ccccc12.O=C1C=C(S(=O)(=O)O)c2cc([N+](=O)[O-])ccc2C1=NNc1c(O)ccc2ccccc12.[H+].[H+].[H+].[H+].[Zn].

What is the InChIKey of hydron;bis(4-[(2-hydroxynaphthalen-1-yl)hydrazinylidene]-7-nitro-3-oxonaphthalene-1-sulfonic acid);zinc?

The InChIKey is RTKUPFXLCZUZRM-UHFFFAOYSA-R. The full InChI is InChI=1S/2C20H13N3O7S.Zn/c2*24-16-8-5-11-3-1-2-4-13(11)19(16)21-22-20-14-7-6-12(23(26)27)9-15(14)18(10-17(20)25)31(28,29)30;/h2*1-10,21,24H,(H,28,29,30);/p+4.

What are the key properties of hydron;bis(4-[(2-hydroxynaphthalen-1-yl)hydrazinylidene]-7-nitro-3-oxonaphthalene-1-sulfonic acid);zinc?

hydron;bis(4-[(2-hydroxynaphthalen-1-yl)hydrazinylidene]-7-nitro-3-oxonaphthalene-1-sulfonic acid);zinc has a molecular weight of 948.23 g/mol, XLogP of 6.61, 8 rotatable bonds, 6 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for hydron;bis(4-[(2-hydroxynaphthalen-1-yl)hydrazinylidene]-7-nitro-3-oxonaphthalene-1-sulfonic acid);zinc is sourced from PubChem (CID 122361707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).