4-cyclohexyl-2-(1-phenyldibenzofuran-4-yl)pyridine;iridium;4-(2-methylpropyl)-2-phenylpyridine;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane

C62H67IrN3OSi — CID 169038715

About 4-cyclohexyl-2-(1-phenyldibenzofuran-4-yl)pyridine;iridium;4-(2-methylpropyl)-2-phenylpyridine;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane

4-cyclohexyl-2-(1-phenyldibenzofuran-4-yl)pyridine;iridium;4-(2-methylpropyl)-2-phenylpyridine;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane (PubChem CID 169038715) has the molecular formula C62H67IrN3OSi and a molecular weight of 1090.54 g/mol. Its IUPAC name is 4-cyclohexyl-2-(1-phenyldibenzofuran-4-yl)pyridine;iridium;4-(2-methylpropyl)-2-phenylpyridine;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane.

Molecular Properties

• Compound Name: 4-cyclohexyl-2-(1-phenyldibenzofuran-4-yl)pyridine;iridium;4-(2-methylpropyl)-2-phenylpyridine;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
• PubChem CID: 169038715
• Molecular Formula: C62H67IrN3OSi
• Molecular Weight: 1090.54 g/mol
• Exact Mass: 1090.47
• IUPAC Name: 4-cyclohexyl-2-(1-phenyldibenzofuran-4-yl)pyridine;iridium;4-(2-methylpropyl)-2-phenylpyridine;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
• SMILES: CC(C)Cc1cc(-c2ccccc2)ncc1[Si](C)(C)C.CC(C)Cc1ccnc(-c2ccccc2)c1.[Ir].c1ccc(-c2ccc(-c3cc(C4CCCCC4)ccn3)c3oc4ccccc4c23)cc1
• InChI: InChI=1S/C29H25NO.C18H25NSi.C15H17N.Ir/c1-3-9-20(10-4-1)22-17-18-30-26(19-22)24-16-15-23(21-11-5-2-6-12-21)28-25-13-7-8-14-27(25)31-29(24)28;1-14(2)11-16-12-17(15-9-7-6-8-10-15)19-13-18(16)20(3,4)5;1-12(2)10-13-8-9-16-15(11-13)14-6-4-3-5-7-14;/h2,5-8,11-20H,1,3-4,9-10H2;6-10,12-14H,11H2,1-5H3;3-9,11-12H,10H2,1-2H3
• InChIKey: NPASVWGDLIDBFT-UHFFFAOYSA-N
• XLogP: 16.80
• TPSA: 51.81 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1090.54
LogP ≤ 5	16.80
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-cyclohexyl-2-(1-phenyldibenzofuran-4-yl)pyridine;iridium;4-(2-methylpropyl)-2-phenylpyridine;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane?

The IUPAC name of 4-cyclohexyl-2-(1-phenyldibenzofuran-4-yl)pyridine;iridium;4-(2-methylpropyl)-2-phenylpyridine;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane (CID 169038715) is 4-cyclohexyl-2-(1-phenyldibenzofuran-4-yl)pyridine;iridium;4-(2-methylpropyl)-2-phenylpyridine;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane.

What is the SMILES notation for 4-cyclohexyl-2-(1-phenyldibenzofuran-4-yl)pyridine;iridium;4-(2-methylpropyl)-2-phenylpyridine;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane?

The canonical SMILES for 4-cyclohexyl-2-(1-phenyldibenzofuran-4-yl)pyridine;iridium;4-(2-methylpropyl)-2-phenylpyridine;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane is CC(C)Cc1cc(-c2ccccc2)ncc1[Si](C)(C)C.CC(C)Cc1ccnc(-c2ccccc2)c1.[Ir].c1ccc(-c2ccc(-c3cc(C4CCCCC4)ccn3)c3oc4ccccc4c23)cc1.

What is the InChIKey of 4-cyclohexyl-2-(1-phenyldibenzofuran-4-yl)pyridine;iridium;4-(2-methylpropyl)-2-phenylpyridine;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane?

The InChIKey is NPASVWGDLIDBFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25NO.C18H25NSi.C15H17N.Ir/c1-3-9-20(10-4-1)22-17-18-30-26(19-22)24-16-15-23(21-11-5-2-6-12-21)28-25-13-7-8-14-27(25)31-29(24)28;1-14(2)11-16-12-17(15-9-7-6-8-10-15)19-13-18(16)20(3,4)5;1-12(2)10-13-8-9-16-15(11-13)14-6-4-3-5-7-14;/h2,5-8,11-20H,1,3-4,9-10H2;6-10,12-14H,11H2,1-5H3;3-9,11-12H,10H2,1-2H3;.

What are the key properties of 4-cyclohexyl-2-(1-phenyldibenzofuran-4-yl)pyridine;iridium;4-(2-methylpropyl)-2-phenylpyridine;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane?

4-cyclohexyl-2-(1-phenyldibenzofuran-4-yl)pyridine;iridium;4-(2-methylpropyl)-2-phenylpyridine;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane has a molecular weight of 1090.54 g/mol, XLogP of 16.80, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-cyclohexyl-2-(1-phenyldibenzofuran-4-yl)pyridine;iridium;4-(2-methylpropyl)-2-phenylpyridine;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane is sourced from PubChem (CID 169038715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).