[6-(4-cyclohexylbenzene-6-id-1-yl)-4-methyl-3-pyridinyl]-trimethylsilane;4-(cyclopentylmethyl)-2-[7-(2,6-difluorophenyl)-3H-dibenzofuran-3-id-4-yl]pyridine;iridium

C50H50F2IrN2OSi-2 — CID 166574330

About [6-(4-cyclohexylbenzene-6-id-1-yl)-4-methyl-3-pyridinyl]-trimethylsilane;4-(cyclopentylmethyl)-2-[7-(2,6-difluorophenyl)-3H-dibenzofuran-3-id-4-yl]pyridine;iridium

[6-(4-cyclohexylbenzene-6-id-1-yl)-4-methyl-3-pyridinyl]-trimethylsilane;4-(cyclopentylmethyl)-2-[7-(2,6-difluorophenyl)-3H-dibenzofuran-3-id-4-yl]pyridine;iridium (PubChem CID 166574330) has the molecular formula C50H50F2IrN2OSi-2 and a molecular weight of 953.26 g/mol. Its IUPAC name is [6-(4-cyclohexylbenzene-6-id-1-yl)-4-methyl-3-pyridinyl]-trimethylsilane;4-(cyclopentylmethyl)-2-[7-(2,6-difluorophenyl)-3H-dibenzofuran-3-id-4-yl]pyridine;iridium.

Molecular Properties

• Compound Name: [6-(4-cyclohexylbenzene-6-id-1-yl)-4-methyl-3-pyridinyl]-trimethylsilane;4-(cyclopentylmethyl)-2-[7-(2,6-difluorophenyl)-3H-dibenzofuran-3-id-4-yl]pyridine;iridium
• PubChem CID: 166574330
• Molecular Formula: C50H50F2IrN2OSi-2
• Molecular Weight: 953.26 g/mol
• Exact Mass: 953.33
• IUPAC Name: [6-(4-cyclohexylbenzene-6-id-1-yl)-4-methyl-3-pyridinyl]-trimethylsilane;4-(cyclopentylmethyl)-2-[7-(2,6-difluorophenyl)-3H-dibenzofuran-3-id-4-yl]pyridine;iridium
• SMILES: Cc1cc(-c2[c-]cc(C3CCCCC3)cc2)ncc1[Si](C)(C)C.Fc1cccc(F)c1-c1ccc2c(c1)oc1c(-c3cc(CC4CCCC4)ccn3)[c-]ccc12.[Ir]
• InChI: InChI=1S/C29H22F2NO.C21H28NSi.Ir/c30-24-9-4-10-25(31)28(24)20-11-12-21-22-7-3-8-23(29(22)33-27(21)17-20)26-16-19(13-14-32-26)15-18-5-1-2-6-18;1-16-14-20(22-15-21(16)23(2,3)4)19-12-10-18(11-13-19)17-8-6-5-7-9-17;/h3-4,7,9-14,16-18H,1-2,5-6,15H2;10-12,14-15,17H,5-9H2,1-4H3;/q2*-1
• InChIKey: KFLAQJGJVSOEND-UHFFFAOYSA-N
• XLogP: 13.57
• TPSA: 38.92 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	953.26
LogP ≤ 5	13.57
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 [6-(4-cyclohexylbenzene-6-id-1-yl)-4-methyl-3-pyridinyl]-trimethylsilane;4-(cyclopentylmethyl)-2-[7-(2,6-difluorophenyl)-3H-dibenzofuran-3-id-4-yl]pyridine;iridium?

The IUPAC name of [6-(4-cyclohexylbenzene-6-id-1-yl)-4-methyl-3-pyridinyl]-trimethylsilane;4-(cyclopentylmethyl)-2-[7-(2,6-difluorophenyl)-3H-dibenzofuran-3-id-4-yl]pyridine;iridium (CID 166574330) is [6-(4-cyclohexylbenzene-6-id-1-yl)-4-methyl-3-pyridinyl]-trimethylsilane;4-(cyclopentylmethyl)-2-[7-(2,6-difluorophenyl)-3H-dibenzofuran-3-id-4-yl]pyridine;iridium.

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

The canonical SMILES for [6-(4-cyclohexylbenzene-6-id-1-yl)-4-methyl-3-pyridinyl]-trimethylsilane;4-(cyclopentylmethyl)-2-[7-(2,6-difluorophenyl)-3H-dibenzofuran-3-id-4-yl]pyridine;iridium is Cc1cc(-c2[c-]cc(C3CCCCC3)cc2)ncc1[Si](C)(C)C.Fc1cccc(F)c1-c1ccc2c(c1)oc1c(-c3cc(CC4CCCC4)ccn3)[c-]ccc12.[Ir].

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

The InChIKey is KFLAQJGJVSOEND-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22F2NO.C21H28NSi.Ir/c30-24-9-4-10-25(31)28(24)20-11-12-21-22-7-3-8-23(29(22)33-27(21)17-20)26-16-19(13-14-32-26)15-18-5-1-2-6-18;1-16-14-20(22-15-21(16)23(2,3)4)19-12-10-18(11-13-19)17-8-6-5-7-9-17;/h3-4,7,9-14,16-18H,1-2,5-6,15H2;10-12,14-15,17H,5-9H2,1-4H3;/q2*-1;.

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

[6-(4-cyclohexylbenzene-6-id-1-yl)-4-methyl-3-pyridinyl]-trimethylsilane;4-(cyclopentylmethyl)-2-[7-(2,6-difluorophenyl)-3H-dibenzofuran-3-id-4-yl]pyridine;iridium has a molecular weight of 953.26 g/mol, XLogP of 13.57, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [6-(4-cyclohexylbenzene-6-id-1-yl)-4-methyl-3-pyridinyl]-trimethylsilane;4-(cyclopentylmethyl)-2-[7-(2,6-difluorophenyl)-3H-dibenzofuran-3-id-4-yl]pyridine;iridium is sourced from PubChem (CID 166574330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).