4-(1-cyclohexylethyl)-2-[7-(2,6-dimethylphenyl)-1-methoxy-3H-dibenzofuran-3-id-4-yl]pyridine;[6-(4-fluorobenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;iridium

C52H57FGeIrN2O2-2 — CID 162776683

About 4-(1-cyclohexylethyl)-2-[7-(2,6-dimethylphenyl)-1-methoxy-3H-dibenzofuran-3-id-4-yl]pyridine;[6-(4-fluorobenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;iridium

4-(1-cyclohexylethyl)-2-[7-(2,6-dimethylphenyl)-1-methoxy-3H-dibenzofuran-3-id-4-yl]pyridine;[6-(4-fluorobenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;iridium (PubChem CID 162776683) has the molecular formula C52H57FGeIrN2O2-2 and a molecular weight of 1025.86 g/mol. Its IUPAC name is 4-(1-cyclohexylethyl)-2-[7-(2,6-dimethylphenyl)-1-methoxy-3H-dibenzofuran-3-id-4-yl]pyridine;[6-(4-fluorobenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;iridium.

Molecular Properties

• Compound Name: 4-(1-cyclohexylethyl)-2-[7-(2,6-dimethylphenyl)-1-methoxy-3H-dibenzofuran-3-id-4-yl]pyridine;[6-(4-fluorobenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;iridium
• PubChem CID: 162776683
• Molecular Formula: C52H57FGeIrN2O2-2
• Molecular Weight: 1025.86 g/mol
• Exact Mass: 1027.33
• IUPAC Name: 4-(1-cyclohexylethyl)-2-[7-(2,6-dimethylphenyl)-1-methoxy-3H-dibenzofuran-3-id-4-yl]pyridine;[6-(4-fluorobenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;iridium
• SMILES: CC(C)Cc1cc(-c2[c-]cc(F)cc2)ncc1[Ge](C)(C)C.COc1c[c-]c(-c2cc(C(C)C3CCCCC3)ccn2)c2oc3cc(-c4c(C)cccc4C)ccc3c12.[Ir]
• InChI: InChI=1S/C34H34NO2.C18H23FGeN.Ir/c1-21-9-8-10-22(2)32(21)26-13-14-28-31(20-26)37-34-27(15-16-30(36-4)33(28)34)29-19-25(17-18-35-29)23(3)24-11-6-5-7-12-24;1-13(2)10-15-11-18(14-6-8-16(19)9-7-14)21-12-17(15)20(3,4)5;/h8-10,13-14,16-20,23-24H,5-7,11-12H2,1-4H3;6,8-9,11-13H,10H2,1-5H3;/q2*-1
• InChIKey: AFRLJNHNKWPZSK-UHFFFAOYSA-N
• XLogP: 13.85
• TPSA: 48.15 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1025.86
LogP ≤ 5	13.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(1-cyclohexylethyl)-2-[7-(2,6-dimethylphenyl)-1-methoxy-3H-dibenzofuran-3-id-4-yl]pyridine;[6-(4-fluorobenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;iridium?

The IUPAC name of 4-(1-cyclohexylethyl)-2-[7-(2,6-dimethylphenyl)-1-methoxy-3H-dibenzofuran-3-id-4-yl]pyridine;[6-(4-fluorobenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;iridium (CID 162776683) is 4-(1-cyclohexylethyl)-2-[7-(2,6-dimethylphenyl)-1-methoxy-3H-dibenzofuran-3-id-4-yl]pyridine;[6-(4-fluorobenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;iridium.

What is the SMILES notation for 4-(1-cyclohexylethyl)-2-[7-(2,6-dimethylphenyl)-1-methoxy-3H-dibenzofuran-3-id-4-yl]pyridine;[6-(4-fluorobenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;iridium?

The canonical SMILES for 4-(1-cyclohexylethyl)-2-[7-(2,6-dimethylphenyl)-1-methoxy-3H-dibenzofuran-3-id-4-yl]pyridine;[6-(4-fluorobenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;iridium is CC(C)Cc1cc(-c2[c-]cc(F)cc2)ncc1[Ge](C)(C)C.COc1c[c-]c(-c2cc(C(C)C3CCCCC3)ccn2)c2oc3cc(-c4c(C)cccc4C)ccc3c12.[Ir].

What is the InChIKey of 4-(1-cyclohexylethyl)-2-[7-(2,6-dimethylphenyl)-1-methoxy-3H-dibenzofuran-3-id-4-yl]pyridine;[6-(4-fluorobenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;iridium?

The InChIKey is AFRLJNHNKWPZSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H34NO2.C18H23FGeN.Ir/c1-21-9-8-10-22(2)32(21)26-13-14-28-31(20-26)37-34-27(15-16-30(36-4)33(28)34)29-19-25(17-18-35-29)23(3)24-11-6-5-7-12-24;1-13(2)10-15-11-18(14-6-8-16(19)9-7-14)21-12-17(15)20(3,4)5;/h8-10,13-14,16-20,23-24H,5-7,11-12H2,1-4H3;6,8-9,11-13H,10H2,1-5H3;/q2*-1;.

What are the key properties of 4-(1-cyclohexylethyl)-2-[7-(2,6-dimethylphenyl)-1-methoxy-3H-dibenzofuran-3-id-4-yl]pyridine;[6-(4-fluorobenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;iridium?

4-(1-cyclohexylethyl)-2-[7-(2,6-dimethylphenyl)-1-methoxy-3H-dibenzofuran-3-id-4-yl]pyridine;[6-(4-fluorobenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;iridium has a molecular weight of 1025.86 g/mol, XLogP of 13.85, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(1-cyclohexylethyl)-2-[7-(2,6-dimethylphenyl)-1-methoxy-3H-dibenzofuran-3-id-4-yl]pyridine;[6-(4-fluorobenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;iridium is sourced from PubChem (CID 162776683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).