2-(3H-dibenzofuran-3-id-4-yl)-4-(2,4,6-trimethylphenyl)pyridine;[6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;iridium

C40H35FGeIrN2O-2 — CID 164712144

About 2-(3H-dibenzofuran-3-id-4-yl)-4-(2,4,6-trimethylphenyl)pyridine;[6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;iridium

2-(3H-dibenzofuran-3-id-4-yl)-4-(2,4,6-trimethylphenyl)pyridine;[6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;iridium (PubChem CID 164712144) has the molecular formula C40H35FGeIrN2O-2 and a molecular weight of 843.56 g/mol. Its IUPAC name is 2-(3H-dibenzofuran-3-id-4-yl)-4-(2,4,6-trimethylphenyl)pyridine;[6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;iridium.

Molecular Properties

• Compound Name: 2-(3H-dibenzofuran-3-id-4-yl)-4-(2,4,6-trimethylphenyl)pyridine;[6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;iridium
• PubChem CID: 164712144
• Molecular Formula: C40H35FGeIrN2O-2
• Molecular Weight: 843.56 g/mol
• Exact Mass: 845.16
• IUPAC Name: 2-(3H-dibenzofuran-3-id-4-yl)-4-(2,4,6-trimethylphenyl)pyridine;[6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;iridium
• SMILES: C[Ge](C)(C)c1ccc(-c2[c-]cc(F)cc2)nc1.Cc1cc(C)c(-c2ccnc(-c3[c-]ccc4c3oc3ccccc34)c2)c(C)c1.[Ir]
• InChI: InChI=1S/C26H20NO.C14H15FGeN.Ir/c1-16-13-17(2)25(18(3)14-16)19-11-12-27-23(15-19)22-9-6-8-21-20-7-4-5-10-24(20)28-26(21)22;1-16(2,3)13-8-9-14(17-10-13)11-4-6-12(15)7-5-11;/h4-8,10-15H,1-3H3;4,6-10H,1-3H3;/q2*-1
• InChIKey: RSOAYVBAECHSTH-UHFFFAOYSA-N
• XLogP: 10.27
• TPSA: 38.92 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	843.56
LogP ≤ 5	10.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 2-(3H-dibenzofuran-3-id-4-yl)-4-(2,4,6-trimethylphenyl)pyridine;[6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;iridium (CID 164712144) is 2-(3H-dibenzofuran-3-id-4-yl)-4-(2,4,6-trimethylphenyl)pyridine;[6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;iridium.

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

The canonical SMILES for 2-(3H-dibenzofuran-3-id-4-yl)-4-(2,4,6-trimethylphenyl)pyridine;[6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;iridium is C[Ge](C)(C)c1ccc(-c2[c-]cc(F)cc2)nc1.Cc1cc(C)c(-c2ccnc(-c3[c-]ccc4c3oc3ccccc34)c2)c(C)c1.[Ir].

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

The InChIKey is RSOAYVBAECHSTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20NO.C14H15FGeN.Ir/c1-16-13-17(2)25(18(3)14-16)19-11-12-27-23(15-19)22-9-6-8-21-20-7-4-5-10-24(20)28-26(21)22;1-16(2,3)13-8-9-14(17-10-13)11-4-6-12(15)7-5-11;/h4-8,10-15H,1-3H3;4,6-10H,1-3H3;/q2*-1;.

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

2-(3H-dibenzofuran-3-id-4-yl)-4-(2,4,6-trimethylphenyl)pyridine;[6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;iridium has a molecular weight of 843.56 g/mol, XLogP of 10.27, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3H-dibenzofuran-3-id-4-yl)-4-(2,4,6-trimethylphenyl)pyridine;[6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;iridium is sourced from PubChem (CID 164712144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).