1-(2-tert-butyl-4-fluoro-6-phenylphenyl)-2-(6-phenyl-3H-dibenzothiophen-3-id-2-yl)benzimidazole;[4-(1,1-dideuterio-2-methylpropyl)-6-(2-methylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium

C60H56FIrN3SSi-2 — CID 156658211

About 1-(2-tert-butyl-4-fluoro-6-phenylphenyl)-2-(6-phenyl-3H-dibenzothiophen-3-id-2-yl)benzimidazole;[4-(1,1-dideuterio-2-methylpropyl)-6-(2-methylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium

1-(2-tert-butyl-4-fluoro-6-phenylphenyl)-2-(6-phenyl-3H-dibenzothiophen-3-id-2-yl)benzimidazole;[4-(1,1-dideuterio-2-methylpropyl)-6-(2-methylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium (PubChem CID 156658211) has the molecular formula C60H56FIrN3SSi-2 and a molecular weight of 1092.51 g/mol. Its IUPAC name is 1-(2-tert-butyl-4-fluoro-6-phenylphenyl)-2-(6-phenyl-3H-dibenzothiophen-3-id-2-yl)benzimidazole;[4-(1,1-dideuterio-2-methylpropyl)-6-(2-methylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium.

Molecular Properties

• Compound Name: 1-(2-tert-butyl-4-fluoro-6-phenylphenyl)-2-(6-phenyl-3H-dibenzothiophen-3-id-2-yl)benzimidazole;[4-(1,1-dideuterio-2-methylpropyl)-6-(2-methylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium
• PubChem CID: 156658211
• Molecular Formula: C60H56FIrN3SSi-2
• Molecular Weight: 1092.51 g/mol
• Exact Mass: 1092.37
• IUPAC Name: 1-(2-tert-butyl-4-fluoro-6-phenylphenyl)-2-(6-phenyl-3H-dibenzothiophen-3-id-2-yl)benzimidazole;[4-(1,1-dideuterio-2-methylpropyl)-6-(2-methylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium
• SMILES: CC(C)(C)c1cc(F)cc(-c2ccccc2)c1-n1c(-c2[c-]cc3sc4c(-c5ccccc5)cccc4c3c2)nc2ccccc21.[2H]C([2H])(c1cc(-c2[c-]cccc2C)ncc1[Si](C)(C)C)C(C)C.[Ir]
• InChI: InChI=1S/C41H30FN2S.C19H26NSi.Ir/c1-41(2,3)34-25-29(42)24-32(27-15-8-5-9-16-27)38(34)44-36-20-11-10-19-35(36)43-40(44)28-21-22-37-33(23-28)31-18-12-17-30(39(31)45-37)26-13-6-4-7-14-26;1-14(2)11-16-12-18(17-10-8-7-9-15(17)3)20-13-19(16)21(4,5)6;/h4-20,22-25H,1-3H3;7-9,12-14H,11H2,1-6H3;/q2*-1;/i;11D2
• InChIKey: GWKYDAOESWOKMH-YXZWVCJGSA-N
• XLogP: 16.23
• TPSA: 30.71 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1092.51
LogP ≤ 5	16.23
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-tert-butyl-4-fluoro-6-phenylphenyl)-2-(6-phenyl-3H-dibenzothiophen-3-id-2-yl)benzimidazole;[4-(1,1-dideuterio-2-methylpropyl)-6-(2-methylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium?

The IUPAC name of 1-(2-tert-butyl-4-fluoro-6-phenylphenyl)-2-(6-phenyl-3H-dibenzothiophen-3-id-2-yl)benzimidazole;[4-(1,1-dideuterio-2-methylpropyl)-6-(2-methylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium (CID 156658211) is 1-(2-tert-butyl-4-fluoro-6-phenylphenyl)-2-(6-phenyl-3H-dibenzothiophen-3-id-2-yl)benzimidazole;[4-(1,1-dideuterio-2-methylpropyl)-6-(2-methylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium.

What is the SMILES notation for 1-(2-tert-butyl-4-fluoro-6-phenylphenyl)-2-(6-phenyl-3H-dibenzothiophen-3-id-2-yl)benzimidazole;[4-(1,1-dideuterio-2-methylpropyl)-6-(2-methylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium?

The canonical SMILES for 1-(2-tert-butyl-4-fluoro-6-phenylphenyl)-2-(6-phenyl-3H-dibenzothiophen-3-id-2-yl)benzimidazole;[4-(1,1-dideuterio-2-methylpropyl)-6-(2-methylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium is CC(C)(C)c1cc(F)cc(-c2ccccc2)c1-n1c(-c2[c-]cc3sc4c(-c5ccccc5)cccc4c3c2)nc2ccccc21.[2H]C([2H])(c1cc(-c2[c-]cccc2C)ncc1[Si](C)(C)C)C(C)C.[Ir].

What is the InChIKey of 1-(2-tert-butyl-4-fluoro-6-phenylphenyl)-2-(6-phenyl-3H-dibenzothiophen-3-id-2-yl)benzimidazole;[4-(1,1-dideuterio-2-methylpropyl)-6-(2-methylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium?

The InChIKey is GWKYDAOESWOKMH-YXZWVCJGSA-N. The full InChI is InChI=1S/C41H30FN2S.C19H26NSi.Ir/c1-41(2,3)34-25-29(42)24-32(27-15-8-5-9-16-27)38(34)44-36-20-11-10-19-35(36)43-40(44)28-21-22-37-33(23-28)31-18-12-17-30(39(31)45-37)26-13-6-4-7-14-26;1-14(2)11-16-12-18(17-10-8-7-9-15(17)3)20-13-19(16)21(4,5)6;/h4-20,22-25H,1-3H3;7-9,12-14H,11H2,1-6H3;/q2*-1;/i;11D2;.

What are the key properties of 1-(2-tert-butyl-4-fluoro-6-phenylphenyl)-2-(6-phenyl-3H-dibenzothiophen-3-id-2-yl)benzimidazole;[4-(1,1-dideuterio-2-methylpropyl)-6-(2-methylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium?

1-(2-tert-butyl-4-fluoro-6-phenylphenyl)-2-(6-phenyl-3H-dibenzothiophen-3-id-2-yl)benzimidazole;[4-(1,1-dideuterio-2-methylpropyl)-6-(2-methylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium has a molecular weight of 1092.51 g/mol, XLogP of 16.23, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-tert-butyl-4-fluoro-6-phenylphenyl)-2-(6-phenyl-3H-dibenzothiophen-3-id-2-yl)benzimidazole;[4-(1,1-dideuterio-2-methylpropyl)-6-(2-methylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium is sourced from PubChem (CID 156658211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).