bis(2-(3H-1-benzothiophen-3-id-2-yl)pyridine);2-(3H-1-benzothiophen-3-id-2-yl)-5-(trifluoromethyl)pyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;pentakis(iridium);2-(4-methylbenzene-6-id-1-yl)pyridine;2-(phenylmethyl)pyridine;tris(2-phenylpyridine);2-(3H-thiophen-3-id-2-yl)-5-(trifluoromethyl)pyridine

C118H79F7Ir5N10S4-10 — CID 157088467

About bis(2-(3H-1-benzothiophen-3-id-2-yl)pyridine);2-(3H-1-benzothiophen-3-id-2-yl)-5-(trifluoromethyl)pyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;pentakis(iridium);2-(4-methylbenzene-6-id-1-yl)pyridine;2-(phenylmethyl)pyridine;tris(2-phenylpyridine);2-(3H-thiophen-3-id-2-yl)-5-(trifluoromethyl)pyridine

bis(2-(3H-1-benzothiophen-3-id-2-yl)pyridine);2-(3H-1-benzothiophen-3-id-2-yl)-5-(trifluoromethyl)pyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;pentakis(iridium);2-(4-methylbenzene-6-id-1-yl)pyridine;2-(phenylmethyl)pyridine;tris(2-phenylpyridine);2-(3H-thiophen-3-id-2-yl)-5-(trifluoromethyl)pyridine (PubChem CID 157088467) has the molecular formula C118H79F7Ir5N10S4-10 and a molecular weight of 2859.34 g/mol. Its IUPAC name is bis(2-(3H-1-benzothiophen-3-id-2-yl)pyridine);2-(3H-1-benzothiophen-3-id-2-yl)-5-(trifluoromethyl)pyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;pentakis(iridium);2-(4-methylbenzene-6-id-1-yl)pyridine;2-(phenylmethyl)pyridine;tris(2-phenylpyridine);2-(3H-thiophen-3-id-2-yl)-5-(trifluoromethyl)pyridine.

Molecular Properties

• Compound Name: bis(2-(3H-1-benzothiophen-3-id-2-yl)pyridine);2-(3H-1-benzothiophen-3-id-2-yl)-5-(trifluoromethyl)pyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;pentakis(iridium);2-(4-methylbenzene-6-id-1-yl)pyridine;2-(phenylmethyl)pyridine;tris(2-phenylpyridine);2-(3H-thiophen-3-id-2-yl)-5-(trifluoromethyl)pyridine
• PubChem CID: 157088467
• Molecular Formula: C118H79F7Ir5N10S4-10
• Molecular Weight: 2859.34 g/mol
• Exact Mass: 2861.35
• IUPAC Name: bis(2-(3H-1-benzothiophen-3-id-2-yl)pyridine);2-(3H-1-benzothiophen-3-id-2-yl)-5-(trifluoromethyl)pyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;pentakis(iridium);2-(4-methylbenzene-6-id-1-yl)pyridine;2-(phenylmethyl)pyridine;tris(2-phenylpyridine);2-(3H-thiophen-3-id-2-yl)-5-(trifluoromethyl)pyridine
• SMILES: Cc1c[c-]c(-c2ccccn2)cc1.FC(F)(F)c1ccc(-c2[c-]c3ccccc3s2)nc1.FC(F)(F)c1ccc(-c2[c-]ccs2)nc1.Fc1c[c-]c(-c2ccccn2)cc1.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1c(-c2ccccn2)sc2ccccc12.[c-]1c(-c2ccccn2)sc2ccccc12.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1Cc1ccccn1
• InChI: InChI=1S/C14H7F3NS.2C13H8NS.2C12H10N.C11H7FN.3C11H8N.C10H5F3NS.5Ir/c15-14(16,17)10-5-6-11(18-8-10)13-7-9-3-1-2-4-12(9)19-13;2*1-2-7-12-10(5-1)9-13(15-12)11-6-3-4-8-14-11;1-10-5-7-11(8-6-10)12-4-2-3-9-13-12;1-2-6-11(7-3-1)10-12-8-4-5-9-13-12;12-10-6-4-9(5-7-10)11-3-1-2-8-13-11;3*1-2-6-10(7-3-1)11-8-4-5-9-12-11;11-10(12,13)7-3-4-8(14-6-7)9-2-1-5-15-9;;;;;/h1-6,8H;2*1-8H;2-7,9H,1H3;1-6,8-9H,10H2;1-4,6-8H;3*1-6,8-9H;1,3-6H;;;;;/q10*-1
• InChIKey: MVAZGOPWJRYUEO-UHFFFAOYSA-N
• XLogP: 31.59
• TPSA: 128.90 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 11
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2859.34
LogP ≤ 5	31.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(2-(3H-1-benzothiophen-3-id-2-yl)pyridine);2-(3H-1-benzothiophen-3-id-2-yl)-5-(trifluoromethyl)pyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;pentakis(iridium);2-(4-methylbenzene-6-id-1-yl)pyridine;2-(phenylmethyl)pyridine;tris(2-phenylpyridine);2-(3H-thiophen-3-id-2-yl)-5-(trifluoromethyl)pyridine?

The IUPAC name of bis(2-(3H-1-benzothiophen-3-id-2-yl)pyridine);2-(3H-1-benzothiophen-3-id-2-yl)-5-(trifluoromethyl)pyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;pentakis(iridium);2-(4-methylbenzene-6-id-1-yl)pyridine;2-(phenylmethyl)pyridine;tris(2-phenylpyridine);2-(3H-thiophen-3-id-2-yl)-5-(trifluoromethyl)pyridine (CID 157088467) is bis(2-(3H-1-benzothiophen-3-id-2-yl)pyridine);2-(3H-1-benzothiophen-3-id-2-yl)-5-(trifluoromethyl)pyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;pentakis(iridium);2-(4-methylbenzene-6-id-1-yl)pyridine;2-(phenylmethyl)pyridine;tris(2-phenylpyridine);2-(3H-thiophen-3-id-2-yl)-5-(trifluoromethyl)pyridine.

What is the SMILES notation for bis(2-(3H-1-benzothiophen-3-id-2-yl)pyridine);2-(3H-1-benzothiophen-3-id-2-yl)-5-(trifluoromethyl)pyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;pentakis(iridium);2-(4-methylbenzene-6-id-1-yl)pyridine;2-(phenylmethyl)pyridine;tris(2-phenylpyridine);2-(3H-thiophen-3-id-2-yl)-5-(trifluoromethyl)pyridine?

The canonical SMILES for bis(2-(3H-1-benzothiophen-3-id-2-yl)pyridine);2-(3H-1-benzothiophen-3-id-2-yl)-5-(trifluoromethyl)pyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;pentakis(iridium);2-(4-methylbenzene-6-id-1-yl)pyridine;2-(phenylmethyl)pyridine;tris(2-phenylpyridine);2-(3H-thiophen-3-id-2-yl)-5-(trifluoromethyl)pyridine is Cc1c[c-]c(-c2ccccn2)cc1.FC(F)(F)c1ccc(-c2[c-]c3ccccc3s2)nc1.FC(F)(F)c1ccc(-c2[c-]ccs2)nc1.Fc1c[c-]c(-c2ccccn2)cc1.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1c(-c2ccccn2)sc2ccccc12.[c-]1c(-c2ccccn2)sc2ccccc12.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1Cc1ccccn1.

What is the InChIKey of bis(2-(3H-1-benzothiophen-3-id-2-yl)pyridine);2-(3H-1-benzothiophen-3-id-2-yl)-5-(trifluoromethyl)pyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;pentakis(iridium);2-(4-methylbenzene-6-id-1-yl)pyridine;2-(phenylmethyl)pyridine;tris(2-phenylpyridine);2-(3H-thiophen-3-id-2-yl)-5-(trifluoromethyl)pyridine?

The InChIKey is MVAZGOPWJRYUEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7F3NS.2C13H8NS.2C12H10N.C11H7FN.3C11H8N.C10H5F3NS.5Ir/c15-14(16,17)10-5-6-11(18-8-10)13-7-9-3-1-2-4-12(9)19-13;2*1-2-7-12-10(5-1)9-13(15-12)11-6-3-4-8-14-11;1-10-5-7-11(8-6-10)12-4-2-3-9-13-12;1-2-6-11(7-3-1)10-12-8-4-5-9-13-12;12-10-6-4-9(5-7-10)11-3-1-2-8-13-11;3*1-2-6-10(7-3-1)11-8-4-5-9-12-11;11-10(12,13)7-3-4-8(14-6-7)9-2-1-5-15-9;;;;;/h1-6,8H;2*1-8H;2-7,9H,1H3;1-6,8-9H,10H2;1-4,6-8H;3*1-6,8-9H;1,3-6H;;;;;/q10*-1;;;;;.

What are the key properties of bis(2-(3H-1-benzothiophen-3-id-2-yl)pyridine);2-(3H-1-benzothiophen-3-id-2-yl)-5-(trifluoromethyl)pyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;pentakis(iridium);2-(4-methylbenzene-6-id-1-yl)pyridine;2-(phenylmethyl)pyridine;tris(2-phenylpyridine);2-(3H-thiophen-3-id-2-yl)-5-(trifluoromethyl)pyridine?

bis(2-(3H-1-benzothiophen-3-id-2-yl)pyridine);2-(3H-1-benzothiophen-3-id-2-yl)-5-(trifluoromethyl)pyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;pentakis(iridium);2-(4-methylbenzene-6-id-1-yl)pyridine;2-(phenylmethyl)pyridine;tris(2-phenylpyridine);2-(3H-thiophen-3-id-2-yl)-5-(trifluoromethyl)pyridine has a molecular weight of 2859.34 g/mol, XLogP of 31.59, 11 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for bis(2-(3H-1-benzothiophen-3-id-2-yl)pyridine);2-(3H-1-benzothiophen-3-id-2-yl)-5-(trifluoromethyl)pyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;pentakis(iridium);2-(4-methylbenzene-6-id-1-yl)pyridine;2-(phenylmethyl)pyridine;tris(2-phenylpyridine);2-(3H-thiophen-3-id-2-yl)-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 157088467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).