(5Z)-5-[(2-hydroxyphenyl)methylidene]-3-[2-[(4E)-4-[(2-hydroxyphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-2-sulfanylideneethanethioyl]-2-phenylimidazol-4-one

C34H22N4O4S2 — CID 45041856

About (5Z)-5-[(2-hydroxyphenyl)methylidene]-3-[2-[(4E)-4-[(2-hydroxyphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-2-sulfanylideneethanethioyl]-2-phenylimidazol-4-one

(5Z)-5-[(2-hydroxyphenyl)methylidene]-3-[2-[(4E)-4-[(2-hydroxyphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-2-sulfanylideneethanethioyl]-2-phenylimidazol-4-one (PubChem CID 45041856) has the molecular formula C34H22N4O4S2 and a molecular weight of 614.71 g/mol. Its IUPAC name is (5Z)-5-[(2-hydroxyphenyl)methylidene]-3-[2-[(4E)-4-[(2-hydroxyphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-2-sulfanylideneethanethioyl]-2-phenylimidazol-4-one.

Molecular Properties

• Compound Name: (5Z)-5-[(2-hydroxyphenyl)methylidene]-3-[2-[(4E)-4-[(2-hydroxyphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-2-sulfanylideneethanethioyl]-2-phenylimidazol-4-one
• PubChem CID: 45041856
• Molecular Formula: C34H22N4O4S2
• Molecular Weight: 614.71 g/mol
• Exact Mass: 614.11
• IUPAC Name: (5Z)-5-[(2-hydroxyphenyl)methylidene]-3-[2-[(4E)-4-[(2-hydroxyphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-2-sulfanylideneethanethioyl]-2-phenylimidazol-4-one
• SMILES: O=C1/C(=C/c2ccccc2O)N=C(c2ccccc2)N1C(=S)C(=S)N1C(=O)/C(=C\c2ccccc2O)N=C1c1ccccc1
• InChI: InChI=1S/C34H22N4O4S2/c39-27-17-9-7-15-23(27)19-25-31(41)37(29(35-25)21-11-3-1-4-12-21)33(43)34(44)38-30(22-13-5-2-6-14-22)36-26(32(38)42)20-24-16-8-10-18-28(24)40/h1-20,39-40H/b25-19-,26-20+
• InChIKey: XCCQZFUZZBZHOH-GAHATOAQSA-N
• XLogP: 5.71
• TPSA: 105.80 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	614.71
LogP ≤ 5	5.71
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(2-hydroxyphenyl)methylidene]-3-[2-[(4E)-4-[(2-hydroxyphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-2-sulfanylideneethanethioyl]-2-phenylimidazol-4-one?

The IUPAC name of (5Z)-5-[(2-hydroxyphenyl)methylidene]-3-[2-[(4E)-4-[(2-hydroxyphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-2-sulfanylideneethanethioyl]-2-phenylimidazol-4-one (CID 45041856) is (5Z)-5-[(2-hydroxyphenyl)methylidene]-3-[2-[(4E)-4-[(2-hydroxyphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-2-sulfanylideneethanethioyl]-2-phenylimidazol-4-one.

What is the SMILES notation for (5Z)-5-[(2-hydroxyphenyl)methylidene]-3-[2-[(4E)-4-[(2-hydroxyphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-2-sulfanylideneethanethioyl]-2-phenylimidazol-4-one?

The canonical SMILES for (5Z)-5-[(2-hydroxyphenyl)methylidene]-3-[2-[(4E)-4-[(2-hydroxyphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-2-sulfanylideneethanethioyl]-2-phenylimidazol-4-one is O=C1/C(=C/c2ccccc2O)N=C(c2ccccc2)N1C(=S)C(=S)N1C(=O)/C(=C\c2ccccc2O)N=C1c1ccccc1.

What is the InChIKey of (5Z)-5-[(2-hydroxyphenyl)methylidene]-3-[2-[(4E)-4-[(2-hydroxyphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-2-sulfanylideneethanethioyl]-2-phenylimidazol-4-one?

The InChIKey is XCCQZFUZZBZHOH-GAHATOAQSA-N. The full InChI is InChI=1S/C34H22N4O4S2/c39-27-17-9-7-15-23(27)19-25-31(41)37(29(35-25)21-11-3-1-4-12-21)33(43)34(44)38-30(22-13-5-2-6-14-22)36-26(32(38)42)20-24-16-8-10-18-28(24)40/h1-20,39-40H/b25-19-,26-20+.

What are the key properties of (5Z)-5-[(2-hydroxyphenyl)methylidene]-3-[2-[(4E)-4-[(2-hydroxyphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-2-sulfanylideneethanethioyl]-2-phenylimidazol-4-one?

(5Z)-5-[(2-hydroxyphenyl)methylidene]-3-[2-[(4E)-4-[(2-hydroxyphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-2-sulfanylideneethanethioyl]-2-phenylimidazol-4-one has a molecular weight of 614.71 g/mol, XLogP of 5.71, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (5Z)-5-[(2-hydroxyphenyl)methylidene]-3-[2-[(4E)-4-[(2-hydroxyphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-2-sulfanylideneethanethioyl]-2-phenylimidazol-4-one is sourced from PubChem (CID 45041856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).