8-[1-(4-tert-butylphenyl)benzimidazol-2-yl]-4-(4-fluorophenyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(1,1-dideuterio-2-methylpropyl)-6-[3,5-dideuterio-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;iridium

C53H51FIrN4OSi-2 — CID 156670457

About 8-[1-(4-tert-butylphenyl)benzimidazol-2-yl]-4-(4-fluorophenyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(1,1-dideuterio-2-methylpropyl)-6-[3,5-dideuterio-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;iridium

8-[1-(4-tert-butylphenyl)benzimidazol-2-yl]-4-(4-fluorophenyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(1,1-dideuterio-2-methylpropyl)-6-[3,5-dideuterio-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;iridium (PubChem CID 156670457) has the molecular formula C53H51FIrN4OSi-2 and a molecular weight of 1006.36 g/mol. Its IUPAC name is 8-[1-(4-tert-butylphenyl)benzimidazol-2-yl]-4-(4-fluorophenyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(1,1-dideuterio-2-methylpropyl)-6-[3,5-dideuterio-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;iridium.

Molecular Properties

• Compound Name: 8-[1-(4-tert-butylphenyl)benzimidazol-2-yl]-4-(4-fluorophenyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(1,1-dideuterio-2-methylpropyl)-6-[3,5-dideuterio-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;iridium
• PubChem CID: 156670457
• Molecular Formula: C53H51FIrN4OSi-2
• Molecular Weight: 1006.36 g/mol
• Exact Mass: 1006.39
• IUPAC Name: 8-[1-(4-tert-butylphenyl)benzimidazol-2-yl]-4-(4-fluorophenyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(1,1-dideuterio-2-methylpropyl)-6-[3,5-dideuterio-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;iridium
• SMILES: CC(C)(C)c1ccc(-n2c(-c3[c-]ccc4c3oc3nccc(-c5ccc(F)cc5)c34)nc3ccccc32)cc1.[2H]c1[c-]c(-c2cc(C([2H])([2H])C(C)C)c([Si](C)(C)C)cn2)cc([2H])c1C([2H])([2H])[2H].[Ir]
• InChI: InChI=1S/C34H25FN3O.C19H26NSi.Ir/c1-34(2,3)22-13-17-24(18-14-22)38-29-10-5-4-9-28(29)37-32(38)27-8-6-7-26-30-25(21-11-15-23(35)16-12-21)19-20-36-33(30)39-31(26)27;1-14(2)11-17-12-18(16-9-7-15(3)8-10-16)20-13-19(17)21(4,5)6;/h4-7,9-20H,1-3H3;7-9,12-14H,11H2,1-6H3;/q2*-1;/i;3D3,7D,8D,11D2
• InChIKey: BKSGMAJMMSOIBN-OWAUEBCTSA-N
• XLogP: 13.49
• TPSA: 56.74 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1006.36
LogP ≤ 5	13.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

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 8-[1-(4-tert-butylphenyl)benzimidazol-2-yl]-4-(4-fluorophenyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(1,1-dideuterio-2-methylpropyl)-6-[3,5-dideuterio-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;iridium?

The IUPAC name of 8-[1-(4-tert-butylphenyl)benzimidazol-2-yl]-4-(4-fluorophenyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(1,1-dideuterio-2-methylpropyl)-6-[3,5-dideuterio-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;iridium (CID 156670457) is 8-[1-(4-tert-butylphenyl)benzimidazol-2-yl]-4-(4-fluorophenyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(1,1-dideuterio-2-methylpropyl)-6-[3,5-dideuterio-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;iridium.

What is the SMILES notation for 8-[1-(4-tert-butylphenyl)benzimidazol-2-yl]-4-(4-fluorophenyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(1,1-dideuterio-2-methylpropyl)-6-[3,5-dideuterio-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;iridium?

The canonical SMILES for 8-[1-(4-tert-butylphenyl)benzimidazol-2-yl]-4-(4-fluorophenyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(1,1-dideuterio-2-methylpropyl)-6-[3,5-dideuterio-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;iridium is CC(C)(C)c1ccc(-n2c(-c3[c-]ccc4c3oc3nccc(-c5ccc(F)cc5)c34)nc3ccccc32)cc1.[2H]c1[c-]c(-c2cc(C([2H])([2H])C(C)C)c([Si](C)(C)C)cn2)cc([2H])c1C([2H])([2H])[2H].[Ir].

What is the InChIKey of 8-[1-(4-tert-butylphenyl)benzimidazol-2-yl]-4-(4-fluorophenyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(1,1-dideuterio-2-methylpropyl)-6-[3,5-dideuterio-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;iridium?

The InChIKey is BKSGMAJMMSOIBN-OWAUEBCTSA-N. The full InChI is InChI=1S/C34H25FN3O.C19H26NSi.Ir/c1-34(2,3)22-13-17-24(18-14-22)38-29-10-5-4-9-28(29)37-32(38)27-8-6-7-26-30-25(21-11-15-23(35)16-12-21)19-20-36-33(30)39-31(26)27;1-14(2)11-17-12-18(16-9-7-15(3)8-10-16)20-13-19(17)21(4,5)6;/h4-7,9-20H,1-3H3;7-9,12-14H,11H2,1-6H3;/q2*-1;/i;3D3,7D,8D,11D2;.

What are the key properties of 8-[1-(4-tert-butylphenyl)benzimidazol-2-yl]-4-(4-fluorophenyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(1,1-dideuterio-2-methylpropyl)-6-[3,5-dideuterio-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;iridium?

8-[1-(4-tert-butylphenyl)benzimidazol-2-yl]-4-(4-fluorophenyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(1,1-dideuterio-2-methylpropyl)-6-[3,5-dideuterio-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;iridium has a molecular weight of 1006.36 g/mol, XLogP of 13.49, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[1-(4-tert-butylphenyl)benzimidazol-2-yl]-4-(4-fluorophenyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(1,1-dideuterio-2-methylpropyl)-6-[3,5-dideuterio-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;iridium is sourced from PubChem (CID 156670457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).