4-(cyclohexylmethyl)-2-(8-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;[4-(1-deuteriocyclopentyl)-6-(3,4-diphenylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium

C61H58IrN2OSi-2 — CID 166574963

About 4-(cyclohexylmethyl)-2-(8-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;[4-(1-deuteriocyclopentyl)-6-(3,4-diphenylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium

4-(cyclohexylmethyl)-2-(8-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;[4-(1-deuteriocyclopentyl)-6-(3,4-diphenylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium (PubChem CID 166574963) has the molecular formula C61H58IrN2OSi-2 and a molecular weight of 1056.46 g/mol. Its IUPAC name is 4-(cyclohexylmethyl)-2-(8-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;[4-(1-deuteriocyclopentyl)-6-(3,4-diphenylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium.

Molecular Properties

• Compound Name: 4-(cyclohexylmethyl)-2-(8-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;[4-(1-deuteriocyclopentyl)-6-(3,4-diphenylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium
• PubChem CID: 166574963
• Molecular Formula: C61H58IrN2OSi-2
• Molecular Weight: 1056.46 g/mol
• Exact Mass: 1056.40
• IUPAC Name: 4-(cyclohexylmethyl)-2-(8-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;[4-(1-deuteriocyclopentyl)-6-(3,4-diphenylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium
• SMILES: [2H]C1(c2cc(-c3[c-]cc(-c4ccccc4)c(-c4ccccc4)c3)ncc2[Si](C)(C)C)CCCC1.[Ir].[c-]1ccc2c(oc3ccc(-c4ccccc4)cc32)c1-c1cc(CC2CCCCC2)ccn1
• InChI: InChI=1S/C31H32NSi.C30H26NO.Ir/c1-33(2,3)31-22-32-30(21-29(31)25-16-10-11-17-25)26-18-19-27(23-12-6-4-7-13-23)28(20-26)24-14-8-5-9-15-24;1-3-8-21(9-4-1)18-22-16-17-31-28(19-22)26-13-7-12-25-27-20-24(23-10-5-2-6-11-23)14-15-29(27)32-30(25)26;/h4-9,12-15,19-22,25H,10-11,16-17H2,1-3H3;2,5-7,10-12,14-17,19-21H,1,3-4,8-9,18H2;/q2*-1;/i25D
• InChIKey: QMJACLYBLPGXHX-FSRZJWEPSA-N
• XLogP: 16.32
• TPSA: 38.92 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1056.46
LogP ≤ 5	16.32
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-(8-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;[4-(1-deuteriocyclopentyl)-6-(3,4-diphenylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium?

The IUPAC name of 4-(cyclohexylmethyl)-2-(8-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;[4-(1-deuteriocyclopentyl)-6-(3,4-diphenylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium (CID 166574963) is 4-(cyclohexylmethyl)-2-(8-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;[4-(1-deuteriocyclopentyl)-6-(3,4-diphenylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium.

What is the SMILES notation for 4-(cyclohexylmethyl)-2-(8-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;[4-(1-deuteriocyclopentyl)-6-(3,4-diphenylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium?

The canonical SMILES for 4-(cyclohexylmethyl)-2-(8-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;[4-(1-deuteriocyclopentyl)-6-(3,4-diphenylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium is [2H]C1(c2cc(-c3[c-]cc(-c4ccccc4)c(-c4ccccc4)c3)ncc2[Si](C)(C)C)CCCC1.[Ir].[c-]1ccc2c(oc3ccc(-c4ccccc4)cc32)c1-c1cc(CC2CCCCC2)ccn1.

What is the InChIKey of 4-(cyclohexylmethyl)-2-(8-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;[4-(1-deuteriocyclopentyl)-6-(3,4-diphenylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium?

The InChIKey is QMJACLYBLPGXHX-FSRZJWEPSA-N. The full InChI is InChI=1S/C31H32NSi.C30H26NO.Ir/c1-33(2,3)31-22-32-30(21-29(31)25-16-10-11-17-25)26-18-19-27(23-12-6-4-7-13-23)28(20-26)24-14-8-5-9-15-24;1-3-8-21(9-4-1)18-22-16-17-31-28(19-22)26-13-7-12-25-27-20-24(23-10-5-2-6-11-23)14-15-29(27)32-30(25)26;/h4-9,12-15,19-22,25H,10-11,16-17H2,1-3H3;2,5-7,10-12,14-17,19-21H,1,3-4,8-9,18H2;/q2*-1;/i25D;;.

What are the key properties of 4-(cyclohexylmethyl)-2-(8-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;[4-(1-deuteriocyclopentyl)-6-(3,4-diphenylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium?

4-(cyclohexylmethyl)-2-(8-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;[4-(1-deuteriocyclopentyl)-6-(3,4-diphenylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium has a molecular weight of 1056.46 g/mol, XLogP of 16.32, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(cyclohexylmethyl)-2-(8-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;[4-(1-deuteriocyclopentyl)-6-(3,4-diphenylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium is sourced from PubChem (CID 166574963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).