4-(cyclohexylmethyl)-2-(7-methyl-1-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;[6-(3-cyclopentylbenzene-6-id-1-yl)-4-(2,2-dimethylpropyl)-3-pyridinyl]-trimethylsilane;iridium

C55H62IrN2OSi-2 — CID 169039237

About 4-(cyclohexylmethyl)-2-(7-methyl-1-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;[6-(3-cyclopentylbenzene-6-id-1-yl)-4-(2,2-dimethylpropyl)-3-pyridinyl]-trimethylsilane;iridium

4-(cyclohexylmethyl)-2-(7-methyl-1-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;[6-(3-cyclopentylbenzene-6-id-1-yl)-4-(2,2-dimethylpropyl)-3-pyridinyl]-trimethylsilane;iridium (PubChem CID 169039237) has the molecular formula C55H62IrN2OSi-2 and a molecular weight of 987.42 g/mol. Its IUPAC name is 4-(cyclohexylmethyl)-2-(7-methyl-1-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;[6-(3-cyclopentylbenzene-6-id-1-yl)-4-(2,2-dimethylpropyl)-3-pyridinyl]-trimethylsilane;iridium.

Molecular Properties

• Compound Name: 4-(cyclohexylmethyl)-2-(7-methyl-1-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;[6-(3-cyclopentylbenzene-6-id-1-yl)-4-(2,2-dimethylpropyl)-3-pyridinyl]-trimethylsilane;iridium
• PubChem CID: 169039237
• Molecular Formula: C55H62IrN2OSi-2
• Molecular Weight: 987.42 g/mol
• Exact Mass: 987.43
• IUPAC Name: 4-(cyclohexylmethyl)-2-(7-methyl-1-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;[6-(3-cyclopentylbenzene-6-id-1-yl)-4-(2,2-dimethylpropyl)-3-pyridinyl]-trimethylsilane;iridium
• SMILES: CC(C)(C)Cc1cc(-c2[c-]ccc(C3CCCC3)c2)ncc1[Si](C)(C)C.Cc1ccc2c(c1)oc1c(-c3cc(CC4CCCCC4)ccn3)[c-]cc(-c3ccccc3)c12.[Ir]
• InChI: InChI=1S/C31H28NO.C24H34NSi.Ir/c1-21-12-13-27-29(18-21)33-31-26(15-14-25(30(27)31)24-10-6-3-7-11-24)28-20-23(16-17-32-28)19-22-8-4-2-5-9-22;1-24(2,3)16-21-15-22(25-17-23(21)26(4,5)6)20-13-9-12-19(14-20)18-10-7-8-11-18;/h3,6-7,10-14,16-18,20,22H,2,4-5,8-9,19H2,1H3;9,12,14-15,17-18H,7-8,10-11,16H2,1-6H3;/q2*-1
• InChIKey: CARZUMMTNQNREF-UHFFFAOYSA-N
• XLogP: 14.88
• TPSA: 38.92 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	987.42
LogP ≤ 5	14.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

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 4-(cyclohexylmethyl)-2-(7-methyl-1-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;[6-(3-cyclopentylbenzene-6-id-1-yl)-4-(2,2-dimethylpropyl)-3-pyridinyl]-trimethylsilane;iridium?

The IUPAC name of 4-(cyclohexylmethyl)-2-(7-methyl-1-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;[6-(3-cyclopentylbenzene-6-id-1-yl)-4-(2,2-dimethylpropyl)-3-pyridinyl]-trimethylsilane;iridium (CID 169039237) is 4-(cyclohexylmethyl)-2-(7-methyl-1-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;[6-(3-cyclopentylbenzene-6-id-1-yl)-4-(2,2-dimethylpropyl)-3-pyridinyl]-trimethylsilane;iridium.

What is the SMILES notation for 4-(cyclohexylmethyl)-2-(7-methyl-1-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;[6-(3-cyclopentylbenzene-6-id-1-yl)-4-(2,2-dimethylpropyl)-3-pyridinyl]-trimethylsilane;iridium?

The canonical SMILES for 4-(cyclohexylmethyl)-2-(7-methyl-1-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;[6-(3-cyclopentylbenzene-6-id-1-yl)-4-(2,2-dimethylpropyl)-3-pyridinyl]-trimethylsilane;iridium is CC(C)(C)Cc1cc(-c2[c-]ccc(C3CCCC3)c2)ncc1[Si](C)(C)C.Cc1ccc2c(c1)oc1c(-c3cc(CC4CCCCC4)ccn3)[c-]cc(-c3ccccc3)c12.[Ir].

What is the InChIKey of 4-(cyclohexylmethyl)-2-(7-methyl-1-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;[6-(3-cyclopentylbenzene-6-id-1-yl)-4-(2,2-dimethylpropyl)-3-pyridinyl]-trimethylsilane;iridium?

The InChIKey is CARZUMMTNQNREF-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28NO.C24H34NSi.Ir/c1-21-12-13-27-29(18-21)33-31-26(15-14-25(30(27)31)24-10-6-3-7-11-24)28-20-23(16-17-32-28)19-22-8-4-2-5-9-22;1-24(2,3)16-21-15-22(25-17-23(21)26(4,5)6)20-13-9-12-19(14-20)18-10-7-8-11-18;/h3,6-7,10-14,16-18,20,22H,2,4-5,8-9,19H2,1H3;9,12,14-15,17-18H,7-8,10-11,16H2,1-6H3;/q2*-1;.

What are the key properties of 4-(cyclohexylmethyl)-2-(7-methyl-1-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;[6-(3-cyclopentylbenzene-6-id-1-yl)-4-(2,2-dimethylpropyl)-3-pyridinyl]-trimethylsilane;iridium?

4-(cyclohexylmethyl)-2-(7-methyl-1-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;[6-(3-cyclopentylbenzene-6-id-1-yl)-4-(2,2-dimethylpropyl)-3-pyridinyl]-trimethylsilane;iridium has a molecular weight of 987.42 g/mol, XLogP of 14.88, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(cyclohexylmethyl)-2-(7-methyl-1-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;[6-(3-cyclopentylbenzene-6-id-1-yl)-4-(2,2-dimethylpropyl)-3-pyridinyl]-trimethylsilane;iridium is sourced from PubChem (CID 169039237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).