iridium;2-methyl-8-(3-methylthieno[2,3-c]pyridin-7-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;5-methyl-2-phenylpyridine

C32H23IrN3OS-2 — CID 168828992

About iridium;2-methyl-8-(3-methylthieno[2,3-c]pyridin-7-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;5-methyl-2-phenylpyridine

iridium;2-methyl-8-(3-methylthieno[2,3-c]pyridin-7-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;5-methyl-2-phenylpyridine (PubChem CID 168828992) has the molecular formula C32H23IrN3OS-2 and a molecular weight of 689.84 g/mol. Its IUPAC name is iridium;2-methyl-8-(3-methylthieno[2,3-c]pyridin-7-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;5-methyl-2-phenylpyridine.

Molecular Properties

• Compound Name: iridium;2-methyl-8-(3-methylthieno[2,3-c]pyridin-7-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;5-methyl-2-phenylpyridine
• PubChem CID: 168828992
• Molecular Formula: C32H23IrN3OS-2
• Molecular Weight: 689.84 g/mol
• Exact Mass: 690.12
• IUPAC Name: iridium;2-methyl-8-(3-methylthieno[2,3-c]pyridin-7-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;5-methyl-2-phenylpyridine
• SMILES: Cc1ccc(-c2[c-]cccc2)nc1.Cc1ccc2c(n1)oc1c(-c3nccc4c(C)csc34)[c-]ccc12.[Ir]
• InChI: InChI=1S/C20H13N2OS.C12H10N.Ir/c1-11-10-24-19-13(11)8-9-21-17(19)16-5-3-4-14-15-7-6-12(2)22-20(15)23-18(14)16;1-10-7-8-12(13-9-10)11-5-3-2-4-6-11;/h3-4,6-10H,1-2H3;2-5,7-9H,1H3;/q2*-1
• InChIKey: PPQKPQYYPWOUHP-UHFFFAOYSA-N
• XLogP: 8.53
• TPSA: 51.81 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	689.84
LogP ≤ 5	8.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of iridium;2-methyl-8-(3-methylthieno[2,3-c]pyridin-7-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;5-methyl-2-phenylpyridine?

The IUPAC name of iridium;2-methyl-8-(3-methylthieno[2,3-c]pyridin-7-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;5-methyl-2-phenylpyridine (CID 168828992) is iridium;2-methyl-8-(3-methylthieno[2,3-c]pyridin-7-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;5-methyl-2-phenylpyridine.

What is the SMILES notation for iridium;2-methyl-8-(3-methylthieno[2,3-c]pyridin-7-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;5-methyl-2-phenylpyridine?

The canonical SMILES for iridium;2-methyl-8-(3-methylthieno[2,3-c]pyridin-7-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;5-methyl-2-phenylpyridine is Cc1ccc(-c2[c-]cccc2)nc1.Cc1ccc2c(n1)oc1c(-c3nccc4c(C)csc34)[c-]ccc12.[Ir].

What is the InChIKey of iridium;2-methyl-8-(3-methylthieno[2,3-c]pyridin-7-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;5-methyl-2-phenylpyridine?

The InChIKey is PPQKPQYYPWOUHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13N2OS.C12H10N.Ir/c1-11-10-24-19-13(11)8-9-21-17(19)16-5-3-4-14-15-7-6-12(2)22-20(15)23-18(14)16;1-10-7-8-12(13-9-10)11-5-3-2-4-6-11;/h3-4,6-10H,1-2H3;2-5,7-9H,1H3;/q2*-1;.

What are the key properties of iridium;2-methyl-8-(3-methylthieno[2,3-c]pyridin-7-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;5-methyl-2-phenylpyridine?

iridium;2-methyl-8-(3-methylthieno[2,3-c]pyridin-7-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;5-methyl-2-phenylpyridine has a molecular weight of 689.84 g/mol, XLogP of 8.53, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for iridium;2-methyl-8-(3-methylthieno[2,3-c]pyridin-7-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;5-methyl-2-phenylpyridine is sourced from PubChem (CID 168828992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).