6-(3,5-dimethylbenzene-6-id-1-yl)indeno[2,1-c]quinolin-7-one;iridium;5-methyl-2-phenylpyridine

C36H26IrN2O-2 — CID 154625685

About 6-(3,5-dimethylbenzene-6-id-1-yl)indeno[2,1-c]quinolin-7-one;iridium;5-methyl-2-phenylpyridine

6-(3,5-dimethylbenzene-6-id-1-yl)indeno[2,1-c]quinolin-7-one;iridium;5-methyl-2-phenylpyridine (PubChem CID 154625685) has the molecular formula C36H26IrN2O-2 and a molecular weight of 694.83 g/mol. Its IUPAC name is 6-(3,5-dimethylbenzene-6-id-1-yl)indeno[2,1-c]quinolin-7-one;iridium;5-methyl-2-phenylpyridine.

Molecular Properties

• Compound Name: 6-(3,5-dimethylbenzene-6-id-1-yl)indeno[2,1-c]quinolin-7-one;iridium;5-methyl-2-phenylpyridine
• PubChem CID: 154625685
• Molecular Formula: C36H26IrN2O-2
• Molecular Weight: 694.83 g/mol
• Exact Mass: 695.17
• IUPAC Name: 6-(3,5-dimethylbenzene-6-id-1-yl)indeno[2,1-c]quinolin-7-one;iridium;5-methyl-2-phenylpyridine
• SMILES: Cc1[c-]c(-c2nc3ccccc3c3c2C(=O)c2ccccc2-3)cc(C)c1.Cc1ccc(-c2[c-]cccc2)nc1.[Ir]
• InChI: InChI=1S/C24H16NO.C12H10N.Ir/c1-14-11-15(2)13-16(12-14)23-22-21(19-9-5-6-10-20(19)25-23)17-7-3-4-8-18(17)24(22)26;1-10-7-8-12(13-9-10)11-5-3-2-4-6-11;/h3-12H,1-2H3;2-5,7-9H,1H3;/q2*-1
• InChIKey: VTEVLTADUKGKGO-UHFFFAOYSA-N
• XLogP: 8.38
• TPSA: 42.85 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	694.83
LogP ≤ 5	8.38
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 6-(3,5-dimethylbenzene-6-id-1-yl)indeno[2,1-c]quinolin-7-one;iridium;5-methyl-2-phenylpyridine?

The IUPAC name of 6-(3,5-dimethylbenzene-6-id-1-yl)indeno[2,1-c]quinolin-7-one;iridium;5-methyl-2-phenylpyridine (CID 154625685) is 6-(3,5-dimethylbenzene-6-id-1-yl)indeno[2,1-c]quinolin-7-one;iridium;5-methyl-2-phenylpyridine.

What is the SMILES notation for 6-(3,5-dimethylbenzene-6-id-1-yl)indeno[2,1-c]quinolin-7-one;iridium;5-methyl-2-phenylpyridine?

The canonical SMILES for 6-(3,5-dimethylbenzene-6-id-1-yl)indeno[2,1-c]quinolin-7-one;iridium;5-methyl-2-phenylpyridine is Cc1[c-]c(-c2nc3ccccc3c3c2C(=O)c2ccccc2-3)cc(C)c1.Cc1ccc(-c2[c-]cccc2)nc1.[Ir].

What is the InChIKey of 6-(3,5-dimethylbenzene-6-id-1-yl)indeno[2,1-c]quinolin-7-one;iridium;5-methyl-2-phenylpyridine?

The InChIKey is VTEVLTADUKGKGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16NO.C12H10N.Ir/c1-14-11-15(2)13-16(12-14)23-22-21(19-9-5-6-10-20(19)25-23)17-7-3-4-8-18(17)24(22)26;1-10-7-8-12(13-9-10)11-5-3-2-4-6-11;/h3-12H,1-2H3;2-5,7-9H,1H3;/q2*-1;.

What are the key properties of 6-(3,5-dimethylbenzene-6-id-1-yl)indeno[2,1-c]quinolin-7-one;iridium;5-methyl-2-phenylpyridine?

6-(3,5-dimethylbenzene-6-id-1-yl)indeno[2,1-c]quinolin-7-one;iridium;5-methyl-2-phenylpyridine has a molecular weight of 694.83 g/mol, XLogP of 8.38, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(3,5-dimethylbenzene-6-id-1-yl)indeno[2,1-c]quinolin-7-one;iridium;5-methyl-2-phenylpyridine is sourced from PubChem (CID 154625685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).