4-(5-tert-butyl-2-pyridinyl)-3-fluorobenzene-5-ide-1-carboxylic acid;3-[2,6-di(propan-2-yl)phenyl]-6-methyl-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)imidazo[4,5-c]pyridine;iridium

C53H47FIrN4O3-2 — CID 164824932

About 4-(5-tert-butyl-2-pyridinyl)-3-fluorobenzene-5-ide-1-carboxylic acid;3-[2,6-di(propan-2-yl)phenyl]-6-methyl-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)imidazo[4,5-c]pyridine;iridium

4-(5-tert-butyl-2-pyridinyl)-3-fluorobenzene-5-ide-1-carboxylic acid;3-[2,6-di(propan-2-yl)phenyl]-6-methyl-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)imidazo[4,5-c]pyridine;iridium (PubChem CID 164824932) has the molecular formula C53H47FIrN4O3-2 and a molecular weight of 999.20 g/mol. Its IUPAC name is 4-(5-tert-butyl-2-pyridinyl)-3-fluorobenzene-5-ide-1-carboxylic acid;3-[2,6-di(propan-2-yl)phenyl]-6-methyl-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)imidazo[4,5-c]pyridine;iridium.

Molecular Properties

• Compound Name: 4-(5-tert-butyl-2-pyridinyl)-3-fluorobenzene-5-ide-1-carboxylic acid;3-[2,6-di(propan-2-yl)phenyl]-6-methyl-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)imidazo[4,5-c]pyridine;iridium
• PubChem CID: 164824932
• Molecular Formula: C53H47FIrN4O3-2
• Molecular Weight: 999.20 g/mol
• Exact Mass: 999.33
• IUPAC Name: 4-(5-tert-butyl-2-pyridinyl)-3-fluorobenzene-5-ide-1-carboxylic acid;3-[2,6-di(propan-2-yl)phenyl]-6-methyl-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)imidazo[4,5-c]pyridine;iridium
• SMILES: CC(C)(C)c1ccc(-c2[c-]cc(C(=O)O)cc2F)nc1.Cc1cc2nc(-c3[c-]ccc4c3oc3cc(-c5ccccc5)ccc34)n(-c3c(C(C)C)cccc3C(C)C)c2cn1.[Ir]
• InChI: InChI=1S/C37H32N3O.C16H15FNO2.Ir/c1-22(2)27-13-9-14-28(23(3)4)35(27)40-33-21-38-24(5)19-32(33)39-37(40)31-16-10-15-30-29-18-17-26(20-34(29)41-36(30)31)25-11-7-6-8-12-25;1-16(2,3)11-5-7-14(18-9-11)12-6-4-10(15(19)20)8-13(12)17;/h6-15,17-23H,1-5H3;4-5,7-9H,1-3H3,(H,19,20);/q2*-1
• InChIKey: HZKNRBQXTNBXLW-UHFFFAOYSA-N
• XLogP: 13.69
• TPSA: 94.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	999.20
LogP ≤ 5	13.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(5-tert-butyl-2-pyridinyl)-3-fluorobenzene-5-ide-1-carboxylic acid;3-[2,6-di(propan-2-yl)phenyl]-6-methyl-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)imidazo[4,5-c]pyridine;iridium?

The IUPAC name of 4-(5-tert-butyl-2-pyridinyl)-3-fluorobenzene-5-ide-1-carboxylic acid;3-[2,6-di(propan-2-yl)phenyl]-6-methyl-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)imidazo[4,5-c]pyridine;iridium (CID 164824932) is 4-(5-tert-butyl-2-pyridinyl)-3-fluorobenzene-5-ide-1-carboxylic acid;3-[2,6-di(propan-2-yl)phenyl]-6-methyl-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)imidazo[4,5-c]pyridine;iridium.

What is the SMILES notation for 4-(5-tert-butyl-2-pyridinyl)-3-fluorobenzene-5-ide-1-carboxylic acid;3-[2,6-di(propan-2-yl)phenyl]-6-methyl-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)imidazo[4,5-c]pyridine;iridium?

The canonical SMILES for 4-(5-tert-butyl-2-pyridinyl)-3-fluorobenzene-5-ide-1-carboxylic acid;3-[2,6-di(propan-2-yl)phenyl]-6-methyl-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)imidazo[4,5-c]pyridine;iridium is CC(C)(C)c1ccc(-c2[c-]cc(C(=O)O)cc2F)nc1.Cc1cc2nc(-c3[c-]ccc4c3oc3cc(-c5ccccc5)ccc34)n(-c3c(C(C)C)cccc3C(C)C)c2cn1.[Ir].

What is the InChIKey of 4-(5-tert-butyl-2-pyridinyl)-3-fluorobenzene-5-ide-1-carboxylic acid;3-[2,6-di(propan-2-yl)phenyl]-6-methyl-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)imidazo[4,5-c]pyridine;iridium?

The InChIKey is HZKNRBQXTNBXLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H32N3O.C16H15FNO2.Ir/c1-22(2)27-13-9-14-28(23(3)4)35(27)40-33-21-38-24(5)19-32(33)39-37(40)31-16-10-15-30-29-18-17-26(20-34(29)41-36(30)31)25-11-7-6-8-12-25;1-16(2,3)11-5-7-14(18-9-11)12-6-4-10(15(19)20)8-13(12)17;/h6-15,17-23H,1-5H3;4-5,7-9H,1-3H3,(H,19,20);/q2*-1;.

What are the key properties of 4-(5-tert-butyl-2-pyridinyl)-3-fluorobenzene-5-ide-1-carboxylic acid;3-[2,6-di(propan-2-yl)phenyl]-6-methyl-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)imidazo[4,5-c]pyridine;iridium?

4-(5-tert-butyl-2-pyridinyl)-3-fluorobenzene-5-ide-1-carboxylic acid;3-[2,6-di(propan-2-yl)phenyl]-6-methyl-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)imidazo[4,5-c]pyridine;iridium has a molecular weight of 999.20 g/mol, XLogP of 13.69, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(5-tert-butyl-2-pyridinyl)-3-fluorobenzene-5-ide-1-carboxylic acid;3-[2,6-di(propan-2-yl)phenyl]-6-methyl-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)imidazo[4,5-c]pyridine;iridium is sourced from PubChem (CID 164824932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).