2-[(4,5-dimethyl-2H-1,3-thiazol-3-id-2-yl)methylidene]-4,5-dimethyl-1,3-oxazol-3-ide;bis(2-[(3,5-diphenylpyrrol-1-id-2-yl)methylidene]-3,5-diphenylpyrrole);2-(4-fluorobenzene-6-id-1-yl)pyridine;tris(iridium);iridium(3+);2-(3H-naphthalen-3-id-2-yl)pyridine;2-phenylpyridine;2-(pyridin-2-ylmethylidene)-1,3-benzoxazol-3-ide;2-(3H-thiophen-3-id-4-yl)pyridine

C136H100FIr4N12O2S2-6 — CID 157481003

About 2-[(4,5-dimethyl-2H-1,3-thiazol-3-id-2-yl)methylidene]-4,5-dimethyl-1,3-oxazol-3-ide;bis(2-[(3,5-diphenylpyrrol-1-id-2-yl)methylidene]-3,5-diphenylpyrrole);2-(4-fluorobenzene-6-id-1-yl)pyridine;tris(iridium);iridium(3+);2-(3H-naphthalen-3-id-2-yl)pyridine;2-phenylpyridine;2-(pyridin-2-ylmethylidene)-1,3-benzoxazol-3-ide;2-(3H-thiophen-3-id-4-yl)pyridine

2-[(4,5-dimethyl-2H-1,3-thiazol-3-id-2-yl)methylidene]-4,5-dimethyl-1,3-oxazol-3-ide;bis(2-[(3,5-diphenylpyrrol-1-id-2-yl)methylidene]-3,5-diphenylpyrrole);2-(4-fluorobenzene-6-id-1-yl)pyridine;tris(iridium);iridium(3+);2-(3H-naphthalen-3-id-2-yl)pyridine;2-phenylpyridine;2-(pyridin-2-ylmethylidene)-1,3-benzoxazol-3-ide;2-(3H-thiophen-3-id-4-yl)pyridine (PubChem CID 157481003) has the molecular formula C136H100FIr4N12O2S2-6 and a molecular weight of 2786.38 g/mol. Its IUPAC name is 2-[(4,5-dimethyl-2H-1,3-thiazol-3-id-2-yl)methylidene]-4,5-dimethyl-1,3-oxazol-3-ide;bis(2-[(3,5-diphenylpyrrol-1-id-2-yl)methylidene]-3,5-diphenylpyrrole);2-(4-fluorobenzene-6-id-1-yl)pyridine;tris(iridium);iridium(3+);2-(3H-naphthalen-3-id-2-yl)pyridine;2-phenylpyridine;2-(pyridin-2-ylmethylidene)-1,3-benzoxazol-3-ide;2-(3H-thiophen-3-id-4-yl)pyridine.

Molecular Properties

• Compound Name: 2-[(4,5-dimethyl-2H-1,3-thiazol-3-id-2-yl)methylidene]-4,5-dimethyl-1,3-oxazol-3-ide;bis(2-[(3,5-diphenylpyrrol-1-id-2-yl)methylidene]-3,5-diphenylpyrrole);2-(4-fluorobenzene-6-id-1-yl)pyridine;tris(iridium);iridium(3+);2-(3H-naphthalen-3-id-2-yl)pyridine;2-phenylpyridine;2-(pyridin-2-ylmethylidene)-1,3-benzoxazol-3-ide;2-(3H-thiophen-3-id-4-yl)pyridine
• PubChem CID: 157481003
• Molecular Formula: C136H100FIr4N12O2S2-6
• Molecular Weight: 2786.38 g/mol
• Exact Mass: 2787.61
• IUPAC Name: 2-[(4,5-dimethyl-2H-1,3-thiazol-3-id-2-yl)methylidene]-4,5-dimethyl-1,3-oxazol-3-ide;bis(2-[(3,5-diphenylpyrrol-1-id-2-yl)methylidene]-3,5-diphenylpyrrole);2-(4-fluorobenzene-6-id-1-yl)pyridine;tris(iridium);iridium(3+);2-(3H-naphthalen-3-id-2-yl)pyridine;2-phenylpyridine;2-(pyridin-2-ylmethylidene)-1,3-benzoxazol-3-ide;2-(3H-thiophen-3-id-4-yl)pyridine
• SMILES: C(=C1N=C(c2ccccc2)C=C1c1ccccc1)c1[n-]c(-c2ccccc2)cc1-c1ccccc1.C(=C1N=C(c2ccccc2)C=C1c1ccccc1)c1[n-]c(-c2ccccc2)cc1-c1ccccc1.C(=C1[N-]c2ccccc2O1)c1ccccn1.CC1=C(C)OC(=CC2[N-]C(C)=C(C)S2)[N-]1.Fc1c[c-]c(-c2ccccn2)cc1.[Ir+3].[Ir].[Ir].[Ir].[c-]1cc2ccccc2cc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1cscc1-c1ccccn1
• InChI: InChI=1S/2C33H23N2.C15H10N.C13H9N2O.C11H7FN.C11H14N2OS.C11H8N.C9H6NS.4Ir/c2*1-5-13-24(14-6-1)28-21-30(26-17-9-3-10-18-26)34-32(28)23-33-29(25-15-7-2-8-16-25)22-31(35-33)27-19-11-4-12-20-27;1-2-6-13-11-14(9-8-12(13)5-1)15-7-3-4-10-16-15;1-2-7-12-11(6-1)15-13(16-12)9-10-5-3-4-8-14-10;12-10-6-4-9(5-7-10)11-3-1-2-8-13-11;1-6-8(3)14-10(12-6)5-11-13-7(2)9(4)15-11;1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-2-5-10-9(3-1)8-4-6-11-7-8;;;;/h2*1-23H;1-8,10-11H;1-9H;1-4,6-8H;5,11H,1-4H3;1-6,8-9H;1-3,5-7H;;;;/q5*-1;-2;2*-1;;;;+3
• InChIKey: WPNMATBJXFTCHF-UHFFFAOYSA-N
• XLogP: 35.01
• TPSA: 178.13 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 16
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2786.38
LogP ≤ 5	35.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[(4,5-dimethyl-2H-1,3-thiazol-3-id-2-yl)methylidene]-4,5-dimethyl-1,3-oxazol-3-ide;bis(2-[(3,5-diphenylpyrrol-1-id-2-yl)methylidene]-3,5-diphenylpyrrole);2-(4-fluorobenzene-6-id-1-yl)pyridine;tris(iridium);iridium(3+);2-(3H-naphthalen-3-id-2-yl)pyridine;2-phenylpyridine;2-(pyridin-2-ylmethylidene)-1,3-benzoxazol-3-ide;2-(3H-thiophen-3-id-4-yl)pyridine?

The IUPAC name of 2-[(4,5-dimethyl-2H-1,3-thiazol-3-id-2-yl)methylidene]-4,5-dimethyl-1,3-oxazol-3-ide;bis(2-[(3,5-diphenylpyrrol-1-id-2-yl)methylidene]-3,5-diphenylpyrrole);2-(4-fluorobenzene-6-id-1-yl)pyridine;tris(iridium);iridium(3+);2-(3H-naphthalen-3-id-2-yl)pyridine;2-phenylpyridine;2-(pyridin-2-ylmethylidene)-1,3-benzoxazol-3-ide;2-(3H-thiophen-3-id-4-yl)pyridine (CID 157481003) is 2-[(4,5-dimethyl-2H-1,3-thiazol-3-id-2-yl)methylidene]-4,5-dimethyl-1,3-oxazol-3-ide;bis(2-[(3,5-diphenylpyrrol-1-id-2-yl)methylidene]-3,5-diphenylpyrrole);2-(4-fluorobenzene-6-id-1-yl)pyridine;tris(iridium);iridium(3+);2-(3H-naphthalen-3-id-2-yl)pyridine;2-phenylpyridine;2-(pyridin-2-ylmethylidene)-1,3-benzoxazol-3-ide;2-(3H-thiophen-3-id-4-yl)pyridine.

What is the SMILES notation for 2-[(4,5-dimethyl-2H-1,3-thiazol-3-id-2-yl)methylidene]-4,5-dimethyl-1,3-oxazol-3-ide;bis(2-[(3,5-diphenylpyrrol-1-id-2-yl)methylidene]-3,5-diphenylpyrrole);2-(4-fluorobenzene-6-id-1-yl)pyridine;tris(iridium);iridium(3+);2-(3H-naphthalen-3-id-2-yl)pyridine;2-phenylpyridine;2-(pyridin-2-ylmethylidene)-1,3-benzoxazol-3-ide;2-(3H-thiophen-3-id-4-yl)pyridine?

The canonical SMILES for 2-[(4,5-dimethyl-2H-1,3-thiazol-3-id-2-yl)methylidene]-4,5-dimethyl-1,3-oxazol-3-ide;bis(2-[(3,5-diphenylpyrrol-1-id-2-yl)methylidene]-3,5-diphenylpyrrole);2-(4-fluorobenzene-6-id-1-yl)pyridine;tris(iridium);iridium(3+);2-(3H-naphthalen-3-id-2-yl)pyridine;2-phenylpyridine;2-(pyridin-2-ylmethylidene)-1,3-benzoxazol-3-ide;2-(3H-thiophen-3-id-4-yl)pyridine is C(=C1N=C(c2ccccc2)C=C1c1ccccc1)c1[n-]c(-c2ccccc2)cc1-c1ccccc1.C(=C1N=C(c2ccccc2)C=C1c1ccccc1)c1[n-]c(-c2ccccc2)cc1-c1ccccc1.C(=C1[N-]c2ccccc2O1)c1ccccn1.CC1=C(C)OC(=CC2[N-]C(C)=C(C)S2)[N-]1.Fc1c[c-]c(-c2ccccn2)cc1.[Ir+3].[Ir].[Ir].[Ir].[c-]1cc2ccccc2cc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1cscc1-c1ccccn1.

What is the InChIKey of 2-[(4,5-dimethyl-2H-1,3-thiazol-3-id-2-yl)methylidene]-4,5-dimethyl-1,3-oxazol-3-ide;bis(2-[(3,5-diphenylpyrrol-1-id-2-yl)methylidene]-3,5-diphenylpyrrole);2-(4-fluorobenzene-6-id-1-yl)pyridine;tris(iridium);iridium(3+);2-(3H-naphthalen-3-id-2-yl)pyridine;2-phenylpyridine;2-(pyridin-2-ylmethylidene)-1,3-benzoxazol-3-ide;2-(3H-thiophen-3-id-4-yl)pyridine?

The InChIKey is WPNMATBJXFTCHF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C33H23N2.C15H10N.C13H9N2O.C11H7FN.C11H14N2OS.C11H8N.C9H6NS.4Ir/c2*1-5-13-24(14-6-1)28-21-30(26-17-9-3-10-18-26)34-32(28)23-33-29(25-15-7-2-8-16-25)22-31(35-33)27-19-11-4-12-20-27;1-2-6-13-11-14(9-8-12(13)5-1)15-7-3-4-10-16-15;1-2-7-12-11(6-1)15-13(16-12)9-10-5-3-4-8-14-10;12-10-6-4-9(5-7-10)11-3-1-2-8-13-11;1-6-8(3)14-10(12-6)5-11-13-7(2)9(4)15-11;1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-2-5-10-9(3-1)8-4-6-11-7-8;;;;/h2*1-23H;1-8,10-11H;1-9H;1-4,6-8H;5,11H,1-4H3;1-6,8-9H;1-3,5-7H;;;;/q5*-1;-2;2*-1;;;;+3.

What are the key properties of 2-[(4,5-dimethyl-2H-1,3-thiazol-3-id-2-yl)methylidene]-4,5-dimethyl-1,3-oxazol-3-ide;bis(2-[(3,5-diphenylpyrrol-1-id-2-yl)methylidene]-3,5-diphenylpyrrole);2-(4-fluorobenzene-6-id-1-yl)pyridine;tris(iridium);iridium(3+);2-(3H-naphthalen-3-id-2-yl)pyridine;2-phenylpyridine;2-(pyridin-2-ylmethylidene)-1,3-benzoxazol-3-ide;2-(3H-thiophen-3-id-4-yl)pyridine?

2-[(4,5-dimethyl-2H-1,3-thiazol-3-id-2-yl)methylidene]-4,5-dimethyl-1,3-oxazol-3-ide;bis(2-[(3,5-diphenylpyrrol-1-id-2-yl)methylidene]-3,5-diphenylpyrrole);2-(4-fluorobenzene-6-id-1-yl)pyridine;tris(iridium);iridium(3+);2-(3H-naphthalen-3-id-2-yl)pyridine;2-phenylpyridine;2-(pyridin-2-ylmethylidene)-1,3-benzoxazol-3-ide;2-(3H-thiophen-3-id-4-yl)pyridine has a molecular weight of 2786.38 g/mol, XLogP of 35.01, 16 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(4,5-dimethyl-2H-1,3-thiazol-3-id-2-yl)methylidene]-4,5-dimethyl-1,3-oxazol-3-ide;bis(2-[(3,5-diphenylpyrrol-1-id-2-yl)methylidene]-3,5-diphenylpyrrole);2-(4-fluorobenzene-6-id-1-yl)pyridine;tris(iridium);iridium(3+);2-(3H-naphthalen-3-id-2-yl)pyridine;2-phenylpyridine;2-(pyridin-2-ylmethylidene)-1,3-benzoxazol-3-ide;2-(3H-thiophen-3-id-4-yl)pyridine is sourced from PubChem (CID 157481003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).