1-(2,5-diphenylphenyl)-7-fluoro-2-[8-[4-(trifluoromethyl)phenyl]-3H-dibenzothiophen-3-id-4-yl]benzimidazole;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane

C58H41F4IrN3SSi-2 — CID 156660193

About 1-(2,5-diphenylphenyl)-7-fluoro-2-[8-[4-(trifluoromethyl)phenyl]-3H-dibenzothiophen-3-id-4-yl]benzimidazole;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane

1-(2,5-diphenylphenyl)-7-fluoro-2-[8-[4-(trifluoromethyl)phenyl]-3H-dibenzothiophen-3-id-4-yl]benzimidazole;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane (PubChem CID 156660193) has the molecular formula C58H41F4IrN3SSi-2 and a molecular weight of 1108.35 g/mol. Its IUPAC name is 1-(2,5-diphenylphenyl)-7-fluoro-2-[8-[4-(trifluoromethyl)phenyl]-3H-dibenzothiophen-3-id-4-yl]benzimidazole;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane.

Molecular Properties

• Compound Name: 1-(2,5-diphenylphenyl)-7-fluoro-2-[8-[4-(trifluoromethyl)phenyl]-3H-dibenzothiophen-3-id-4-yl]benzimidazole;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
• PubChem CID: 156660193
• Molecular Formula: C58H41F4IrN3SSi-2
• Molecular Weight: 1108.35 g/mol
• Exact Mass: 1108.24
• IUPAC Name: 1-(2,5-diphenylphenyl)-7-fluoro-2-[8-[4-(trifluoromethyl)phenyl]-3H-dibenzothiophen-3-id-4-yl]benzimidazole;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
• SMILES: C[Si](C)(C)c1ccc(-c2[c-]cccc2)nc1.Fc1cccc2nc(-c3[c-]ccc4c3sc3ccc(-c5ccc(C(F)(F)F)cc5)cc34)n(-c3cc(-c4ccccc4)ccc3-c3ccccc3)c12.[Ir]
• InChI: InChI=1S/C44H25F4N2S.C14H16NSi.Ir/c45-37-15-8-16-38-41(37)50(39-26-31(27-9-3-1-4-10-27)19-23-33(39)29-11-5-2-6-12-29)43(49-38)35-14-7-13-34-36-25-30(20-24-40(36)51-42(34)35)28-17-21-32(22-18-28)44(46,47)48;1-16(2,3)13-9-10-14(15-11-13)12-7-5-4-6-8-12;/h1-13,15-26H;4-7,9-11H,1-3H3;/q2*-1
• InChIKey: DRFDWPOYMFMBIQ-UHFFFAOYSA-N
• XLogP: 16.11
• TPSA: 30.71 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1108.35
LogP ≤ 5	16.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-diphenylphenyl)-7-fluoro-2-[8-[4-(trifluoromethyl)phenyl]-3H-dibenzothiophen-3-id-4-yl]benzimidazole;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane?

The IUPAC name of 1-(2,5-diphenylphenyl)-7-fluoro-2-[8-[4-(trifluoromethyl)phenyl]-3H-dibenzothiophen-3-id-4-yl]benzimidazole;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane (CID 156660193) is 1-(2,5-diphenylphenyl)-7-fluoro-2-[8-[4-(trifluoromethyl)phenyl]-3H-dibenzothiophen-3-id-4-yl]benzimidazole;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane.

What is the SMILES notation for 1-(2,5-diphenylphenyl)-7-fluoro-2-[8-[4-(trifluoromethyl)phenyl]-3H-dibenzothiophen-3-id-4-yl]benzimidazole;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane?

The canonical SMILES for 1-(2,5-diphenylphenyl)-7-fluoro-2-[8-[4-(trifluoromethyl)phenyl]-3H-dibenzothiophen-3-id-4-yl]benzimidazole;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane is C[Si](C)(C)c1ccc(-c2[c-]cccc2)nc1.Fc1cccc2nc(-c3[c-]ccc4c3sc3ccc(-c5ccc(C(F)(F)F)cc5)cc34)n(-c3cc(-c4ccccc4)ccc3-c3ccccc3)c12.[Ir].

What is the InChIKey of 1-(2,5-diphenylphenyl)-7-fluoro-2-[8-[4-(trifluoromethyl)phenyl]-3H-dibenzothiophen-3-id-4-yl]benzimidazole;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane?

The InChIKey is DRFDWPOYMFMBIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H25F4N2S.C14H16NSi.Ir/c45-37-15-8-16-38-41(37)50(39-26-31(27-9-3-1-4-10-27)19-23-33(39)29-11-5-2-6-12-29)43(49-38)35-14-7-13-34-36-25-30(20-24-40(36)51-42(34)35)28-17-21-32(22-18-28)44(46,47)48;1-16(2,3)13-9-10-14(15-11-13)12-7-5-4-6-8-12;/h1-13,15-26H;4-7,9-11H,1-3H3;/q2*-1;.

What are the key properties of 1-(2,5-diphenylphenyl)-7-fluoro-2-[8-[4-(trifluoromethyl)phenyl]-3H-dibenzothiophen-3-id-4-yl]benzimidazole;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane?

1-(2,5-diphenylphenyl)-7-fluoro-2-[8-[4-(trifluoromethyl)phenyl]-3H-dibenzothiophen-3-id-4-yl]benzimidazole;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane has a molecular weight of 1108.35 g/mol, XLogP of 16.11, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,5-diphenylphenyl)-7-fluoro-2-[8-[4-(trifluoromethyl)phenyl]-3H-dibenzothiophen-3-id-4-yl]benzimidazole;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane is sourced from PubChem (CID 156660193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).