3-(2-tert-butyl-4-phenylphenyl)-4-methyl-2-(1-methyl-7-phenyl-3H-dibenzofuran-3-id-4-yl)imidazo[4,5-c]pyridine;[4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium

C60H58IrN4OSi-2 — CID 156658726

About 3-(2-tert-butyl-4-phenylphenyl)-4-methyl-2-(1-methyl-7-phenyl-3H-dibenzofuran-3-id-4-yl)imidazo[4,5-c]pyridine;[4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium

3-(2-tert-butyl-4-phenylphenyl)-4-methyl-2-(1-methyl-7-phenyl-3H-dibenzofuran-3-id-4-yl)imidazo[4,5-c]pyridine;[4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium (PubChem CID 156658726) has the molecular formula C60H58IrN4OSi-2 and a molecular weight of 1073.47 g/mol. Its IUPAC name is 3-(2-tert-butyl-4-phenylphenyl)-4-methyl-2-(1-methyl-7-phenyl-3H-dibenzofuran-3-id-4-yl)imidazo[4,5-c]pyridine;[4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium.

Molecular Properties

• Compound Name: 3-(2-tert-butyl-4-phenylphenyl)-4-methyl-2-(1-methyl-7-phenyl-3H-dibenzofuran-3-id-4-yl)imidazo[4,5-c]pyridine;[4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium
• PubChem CID: 156658726
• Molecular Formula: C60H58IrN4OSi-2
• Molecular Weight: 1073.47 g/mol
• Exact Mass: 1073.41
• IUPAC Name: 3-(2-tert-butyl-4-phenylphenyl)-4-methyl-2-(1-methyl-7-phenyl-3H-dibenzofuran-3-id-4-yl)imidazo[4,5-c]pyridine;[4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium
• SMILES: Cc1c[c-]c(-c2nc3ccnc(C)c3n2-c2ccc(-c3ccccc3)cc2C(C)(C)C)c2oc3cc(-c4ccccc4)ccc3c12.[2H]C([2H])(c1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C)C(C)C.[Ir]
• InChI: InChI=1S/C42H34N3O.C18H24NSi.Ir/c1-26-16-19-33(40-38(26)32-20-17-31(25-37(32)46-40)29-14-10-7-11-15-29)41-44-35-22-23-43-27(2)39(35)45(41)36-21-18-30(24-34(36)42(3,4)5)28-12-8-6-9-13-28;1-14(2)11-16-12-17(15-9-7-6-8-10-15)19-13-18(16)20(3,4)5;/h6-18,20-25H,1-5H3;6-9,12-14H,11H2,1-5H3;/q2*-1;/i;11D2
• InChIKey: YJMOVBFQEYVQTF-YXZWVCJGSA-N
• XLogP: 15.33
• TPSA: 56.74 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1073.47
LogP ≤ 5	15.33
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 3-(2-tert-butyl-4-phenylphenyl)-4-methyl-2-(1-methyl-7-phenyl-3H-dibenzofuran-3-id-4-yl)imidazo[4,5-c]pyridine;[4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium?

The IUPAC name of 3-(2-tert-butyl-4-phenylphenyl)-4-methyl-2-(1-methyl-7-phenyl-3H-dibenzofuran-3-id-4-yl)imidazo[4,5-c]pyridine;[4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium (CID 156658726) is 3-(2-tert-butyl-4-phenylphenyl)-4-methyl-2-(1-methyl-7-phenyl-3H-dibenzofuran-3-id-4-yl)imidazo[4,5-c]pyridine;[4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium.

What is the SMILES notation for 3-(2-tert-butyl-4-phenylphenyl)-4-methyl-2-(1-methyl-7-phenyl-3H-dibenzofuran-3-id-4-yl)imidazo[4,5-c]pyridine;[4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium?

The canonical SMILES for 3-(2-tert-butyl-4-phenylphenyl)-4-methyl-2-(1-methyl-7-phenyl-3H-dibenzofuran-3-id-4-yl)imidazo[4,5-c]pyridine;[4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium is Cc1c[c-]c(-c2nc3ccnc(C)c3n2-c2ccc(-c3ccccc3)cc2C(C)(C)C)c2oc3cc(-c4ccccc4)ccc3c12.[2H]C([2H])(c1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C)C(C)C.[Ir].

What is the InChIKey of 3-(2-tert-butyl-4-phenylphenyl)-4-methyl-2-(1-methyl-7-phenyl-3H-dibenzofuran-3-id-4-yl)imidazo[4,5-c]pyridine;[4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium?

The InChIKey is YJMOVBFQEYVQTF-YXZWVCJGSA-N. The full InChI is InChI=1S/C42H34N3O.C18H24NSi.Ir/c1-26-16-19-33(40-38(26)32-20-17-31(25-37(32)46-40)29-14-10-7-11-15-29)41-44-35-22-23-43-27(2)39(35)45(41)36-21-18-30(24-34(36)42(3,4)5)28-12-8-6-9-13-28;1-14(2)11-16-12-17(15-9-7-6-8-10-15)19-13-18(16)20(3,4)5;/h6-18,20-25H,1-5H3;6-9,12-14H,11H2,1-5H3;/q2*-1;/i;11D2;.

What are the key properties of 3-(2-tert-butyl-4-phenylphenyl)-4-methyl-2-(1-methyl-7-phenyl-3H-dibenzofuran-3-id-4-yl)imidazo[4,5-c]pyridine;[4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium?

3-(2-tert-butyl-4-phenylphenyl)-4-methyl-2-(1-methyl-7-phenyl-3H-dibenzofuran-3-id-4-yl)imidazo[4,5-c]pyridine;[4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium has a molecular weight of 1073.47 g/mol, XLogP of 15.33, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2-tert-butyl-4-phenylphenyl)-4-methyl-2-(1-methyl-7-phenyl-3H-dibenzofuran-3-id-4-yl)imidazo[4,5-c]pyridine;[4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium is sourced from PubChem (CID 156658726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).