4-[(2Z)-2-[(7Z)-1,8-dioxo-7-[(4-sulfophenyl)hydrazinylidene]-9H-carbazol-2-ylidene]hydrazinyl]benzenesulfonic acid

C24H17N5O8S2 — CID 170845784

About 4-[(2Z)-2-[(7Z)-1,8-dioxo-7-[(4-sulfophenyl)hydrazinylidene]-9H-carbazol-2-ylidene]hydrazinyl]benzenesulfonic acid

4-[(2Z)-2-[(7Z)-1,8-dioxo-7-[(4-sulfophenyl)hydrazinylidene]-9H-carbazol-2-ylidene]hydrazinyl]benzenesulfonic acid (PubChem CID 170845784) has the molecular formula C24H17N5O8S2 and a molecular weight of 567.56 g/mol. Its IUPAC name is 4-[(2Z)-2-[(7Z)-1,8-dioxo-7-[(4-sulfophenyl)hydrazinylidene]-9H-carbazol-2-ylidene]hydrazinyl]benzenesulfonic acid.

Molecular Properties

• Compound Name: 4-[(2Z)-2-[(7Z)-1,8-dioxo-7-[(4-sulfophenyl)hydrazinylidene]-9H-carbazol-2-ylidene]hydrazinyl]benzenesulfonic acid
• PubChem CID: 170845784
• Molecular Formula: C24H17N5O8S2
• Molecular Weight: 567.56 g/mol
• Exact Mass: 567.05
• IUPAC Name: 4-[(2Z)-2-[(7Z)-1,8-dioxo-7-[(4-sulfophenyl)hydrazinylidene]-9H-carbazol-2-ylidene]hydrazinyl]benzenesulfonic acid
• SMILES: O=c1/c(=N\Nc2ccc(S(=O)(=O)O)cc2)ccc2c1[nH]c1c(=O)/c(=N\Nc3ccc(S(=O)(=O)O)cc3)ccc12
• InChI: InChI=1S/C24H17N5O8S2/c30-23-19(28-26-13-1-5-15(6-2-13)38(32,33)34)11-9-17-18-10-12-20(24(31)22(18)25-21(17)23)29-27-14-3-7-16(8-4-14)39(35,36)37/h1-12,25-27H,(H,32,33,34)(H,35,36,37)/b28-19-,29-20-
• InChIKey: PNOLVDCZMMLOHA-HNXTVNFMSA-N
• XLogP: 1.27
• TPSA: 207.45 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	567.56
LogP ≤ 5	1.27
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[(2Z)-2-[(7Z)-1,8-dioxo-7-[(4-sulfophenyl)hydrazinylidene]-9H-carbazol-2-ylidene]hydrazinyl]benzenesulfonic acid?

The IUPAC name of 4-[(2Z)-2-[(7Z)-1,8-dioxo-7-[(4-sulfophenyl)hydrazinylidene]-9H-carbazol-2-ylidene]hydrazinyl]benzenesulfonic acid (CID 170845784) is 4-[(2Z)-2-[(7Z)-1,8-dioxo-7-[(4-sulfophenyl)hydrazinylidene]-9H-carbazol-2-ylidene]hydrazinyl]benzenesulfonic acid.

What is the SMILES notation for 4-[(2Z)-2-[(7Z)-1,8-dioxo-7-[(4-sulfophenyl)hydrazinylidene]-9H-carbazol-2-ylidene]hydrazinyl]benzenesulfonic acid?

The canonical SMILES for 4-[(2Z)-2-[(7Z)-1,8-dioxo-7-[(4-sulfophenyl)hydrazinylidene]-9H-carbazol-2-ylidene]hydrazinyl]benzenesulfonic acid is O=c1/c(=N\Nc2ccc(S(=O)(=O)O)cc2)ccc2c1[nH]c1c(=O)/c(=N\Nc3ccc(S(=O)(=O)O)cc3)ccc12.

What is the InChIKey of 4-[(2Z)-2-[(7Z)-1,8-dioxo-7-[(4-sulfophenyl)hydrazinylidene]-9H-carbazol-2-ylidene]hydrazinyl]benzenesulfonic acid?

The InChIKey is PNOLVDCZMMLOHA-HNXTVNFMSA-N. The full InChI is InChI=1S/C24H17N5O8S2/c30-23-19(28-26-13-1-5-15(6-2-13)38(32,33)34)11-9-17-18-10-12-20(24(31)22(18)25-21(17)23)29-27-14-3-7-16(8-4-14)39(35,36)37/h1-12,25-27H,(H,32,33,34)(H,35,36,37)/b28-19-,29-20-.

What are the key properties of 4-[(2Z)-2-[(7Z)-1,8-dioxo-7-[(4-sulfophenyl)hydrazinylidene]-9H-carbazol-2-ylidene]hydrazinyl]benzenesulfonic acid?

4-[(2Z)-2-[(7Z)-1,8-dioxo-7-[(4-sulfophenyl)hydrazinylidene]-9H-carbazol-2-ylidene]hydrazinyl]benzenesulfonic acid has a molecular weight of 567.56 g/mol, XLogP of 1.27, 6 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(2Z)-2-[(7Z)-1,8-dioxo-7-[(4-sulfophenyl)hydrazinylidene]-9H-carbazol-2-ylidene]hydrazinyl]benzenesulfonic acid is sourced from PubChem (CID 170845784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).