4-(2-bicyclo[2.2.2]octanylmethyl)-2-(9-phenyldibenzofuran-4-yl)pyridine;4-(2,2-dimethylpropyl)-2-phenylpyridine;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium

C67H75IrN3OSi — CID 169039245

About 4-(2-bicyclo[2.2.2]octanylmethyl)-2-(9-phenyldibenzofuran-4-yl)pyridine;4-(2,2-dimethylpropyl)-2-phenylpyridine;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium

4-(2-bicyclo[2.2.2]octanylmethyl)-2-(9-phenyldibenzofuran-4-yl)pyridine;4-(2,2-dimethylpropyl)-2-phenylpyridine;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium (PubChem CID 169039245) has the molecular formula C67H75IrN3OSi and a molecular weight of 1158.66 g/mol. Its IUPAC name is 4-(2-bicyclo[2.2.2]octanylmethyl)-2-(9-phenyldibenzofuran-4-yl)pyridine;4-(2,2-dimethylpropyl)-2-phenylpyridine;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium.

Molecular Properties

• Compound Name: 4-(2-bicyclo[2.2.2]octanylmethyl)-2-(9-phenyldibenzofuran-4-yl)pyridine;4-(2,2-dimethylpropyl)-2-phenylpyridine;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium
• PubChem CID: 169039245
• Molecular Formula: C67H75IrN3OSi
• Molecular Weight: 1158.66 g/mol
• Exact Mass: 1158.53
• IUPAC Name: 4-(2-bicyclo[2.2.2]octanylmethyl)-2-(9-phenyldibenzofuran-4-yl)pyridine;4-(2,2-dimethylpropyl)-2-phenylpyridine;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium
• SMILES: CC(C)(C)Cc1cc(-c2ccccc2)ncc1[Si](C)(C)C.CC(C)(C)Cc1ccnc(-c2ccccc2)c1.[Ir].c1ccc(-c2cccc3oc4c(-c5cc(CC6CC7CCC6CC7)ccn5)cccc4c23)cc1
• InChI: InChI=1S/C32H29NO.C19H27NSi.C16H19N.Ir/c1-2-6-24(7-3-1)26-8-5-11-30-31(26)28-10-4-9-27(32(28)34-30)29-20-22(16-17-33-29)19-25-18-21-12-14-23(25)15-13-21;1-19(2,3)13-16-12-17(15-10-8-7-9-11-15)20-14-18(16)21(4,5)6;1-16(2,3)12-13-9-10-17-15(11-13)14-7-5-4-6-8-14;/h1-11,16-17,20-21,23,25H,12-15,18-19H2;7-12,14H,13H2,1-6H3;4-11H,12H2,1-3H3
• InChIKey: PVOZDEZMKZPNFW-UHFFFAOYSA-N
• XLogP: 17.90
• TPSA: 51.81 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1158.66
LogP ≤ 5	17.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(2-bicyclo[2.2.2]octanylmethyl)-2-(9-phenyldibenzofuran-4-yl)pyridine;4-(2,2-dimethylpropyl)-2-phenylpyridine;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium?

The IUPAC name of 4-(2-bicyclo[2.2.2]octanylmethyl)-2-(9-phenyldibenzofuran-4-yl)pyridine;4-(2,2-dimethylpropyl)-2-phenylpyridine;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium (CID 169039245) is 4-(2-bicyclo[2.2.2]octanylmethyl)-2-(9-phenyldibenzofuran-4-yl)pyridine;4-(2,2-dimethylpropyl)-2-phenylpyridine;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium.

What is the SMILES notation for 4-(2-bicyclo[2.2.2]octanylmethyl)-2-(9-phenyldibenzofuran-4-yl)pyridine;4-(2,2-dimethylpropyl)-2-phenylpyridine;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium?

The canonical SMILES for 4-(2-bicyclo[2.2.2]octanylmethyl)-2-(9-phenyldibenzofuran-4-yl)pyridine;4-(2,2-dimethylpropyl)-2-phenylpyridine;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium is CC(C)(C)Cc1cc(-c2ccccc2)ncc1[Si](C)(C)C.CC(C)(C)Cc1ccnc(-c2ccccc2)c1.[Ir].c1ccc(-c2cccc3oc4c(-c5cc(CC6CC7CCC6CC7)ccn5)cccc4c23)cc1.

What is the InChIKey of 4-(2-bicyclo[2.2.2]octanylmethyl)-2-(9-phenyldibenzofuran-4-yl)pyridine;4-(2,2-dimethylpropyl)-2-phenylpyridine;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium?

The InChIKey is PVOZDEZMKZPNFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29NO.C19H27NSi.C16H19N.Ir/c1-2-6-24(7-3-1)26-8-5-11-30-31(26)28-10-4-9-27(32(28)34-30)29-20-22(16-17-33-29)19-25-18-21-12-14-23(25)15-13-21;1-19(2,3)13-16-12-17(15-10-8-7-9-11-15)20-14-18(16)21(4,5)6;1-16(2,3)12-13-9-10-17-15(11-13)14-7-5-4-6-8-14;/h1-11,16-17,20-21,23,25H,12-15,18-19H2;7-12,14H,13H2,1-6H3;4-11H,12H2,1-3H3;.

What are the key properties of 4-(2-bicyclo[2.2.2]octanylmethyl)-2-(9-phenyldibenzofuran-4-yl)pyridine;4-(2,2-dimethylpropyl)-2-phenylpyridine;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium?

4-(2-bicyclo[2.2.2]octanylmethyl)-2-(9-phenyldibenzofuran-4-yl)pyridine;4-(2,2-dimethylpropyl)-2-phenylpyridine;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium has a molecular weight of 1158.66 g/mol, XLogP of 17.90, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2-bicyclo[2.2.2]octanylmethyl)-2-(9-phenyldibenzofuran-4-yl)pyridine;4-(2,2-dimethylpropyl)-2-phenylpyridine;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium is sourced from PubChem (CID 169039245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).