2-(2,4-dimethylbenzene-6-id-1-yl)pyridine;9,9-dimethyl-10-(3-pyridin-2-ylbenzene-4-id-1-yl)acridine;bis(iridium);3-methyl-2-phenylpyridine;10-(3-pyridin-2-ylbenzene-4-id-1-yl)phenoxazine

C74H58Ir2N6O-4 — CID 158474882

About 2-(2,4-dimethylbenzene-6-id-1-yl)pyridine;9,9-dimethyl-10-(3-pyridin-2-ylbenzene-4-id-1-yl)acridine;bis(iridium);3-methyl-2-phenylpyridine;10-(3-pyridin-2-ylbenzene-4-id-1-yl)phenoxazine

2-(2,4-dimethylbenzene-6-id-1-yl)pyridine;9,9-dimethyl-10-(3-pyridin-2-ylbenzene-4-id-1-yl)acridine;bis(iridium);3-methyl-2-phenylpyridine;10-(3-pyridin-2-ylbenzene-4-id-1-yl)phenoxazine (PubChem CID 158474882) has the molecular formula C74H58Ir2N6O-4 and a molecular weight of 1431.75 g/mol. Its IUPAC name is 2-(2,4-dimethylbenzene-6-id-1-yl)pyridine;9,9-dimethyl-10-(3-pyridin-2-ylbenzene-4-id-1-yl)acridine;bis(iridium);3-methyl-2-phenylpyridine;10-(3-pyridin-2-ylbenzene-4-id-1-yl)phenoxazine.

Molecular Properties

• Compound Name: 2-(2,4-dimethylbenzene-6-id-1-yl)pyridine;9,9-dimethyl-10-(3-pyridin-2-ylbenzene-4-id-1-yl)acridine;bis(iridium);3-methyl-2-phenylpyridine;10-(3-pyridin-2-ylbenzene-4-id-1-yl)phenoxazine
• PubChem CID: 158474882
• Molecular Formula: C74H58Ir2N6O-4
• Molecular Weight: 1431.75 g/mol
• Exact Mass: 1432.40
• IUPAC Name: 2-(2,4-dimethylbenzene-6-id-1-yl)pyridine;9,9-dimethyl-10-(3-pyridin-2-ylbenzene-4-id-1-yl)acridine;bis(iridium);3-methyl-2-phenylpyridine;10-(3-pyridin-2-ylbenzene-4-id-1-yl)phenoxazine
• SMILES: CC1(C)c2ccccc2N(c2cc[c-]c(-c3ccccn3)c2)c2ccccc21.Cc1c[c-]c(-c2ccccn2)c(C)c1.Cc1cccnc1-c1[c-]cccc1.[Ir].[Ir].[c-]1ccc(N2c3ccccc3Oc3ccccc32)cc1-c1ccccn1
• InChI: InChI=1S/C26H21N2.C23H15N2O.C13H12N.C12H10N.2Ir/c1-26(2)21-12-3-5-15-24(21)28(25-16-6-4-13-22(25)26)20-11-9-10-19(18-20)23-14-7-8-17-27-23;1-3-13-22-20(11-1)25(21-12-2-4-14-23(21)26-22)18-9-7-8-17(16-18)19-10-5-6-15-24-19;1-10-6-7-12(11(2)9-10)13-5-3-4-8-14-13;1-10-6-5-9-13-12(10)11-7-3-2-4-8-11;;/h3-9,11-18H,1-2H3;1-7,9-16H;3-6,8-9H,1-2H3;2-7,9H,1H3;;/q4*-1
• InChIKey: QEZXXMIGMPAQAG-UHFFFAOYSA-N
• XLogP: 18.80
• TPSA: 67.27 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1431.75
LogP ≤ 5	18.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylbenzene-6-id-1-yl)pyridine;9,9-dimethyl-10-(3-pyridin-2-ylbenzene-4-id-1-yl)acridine;bis(iridium);3-methyl-2-phenylpyridine;10-(3-pyridin-2-ylbenzene-4-id-1-yl)phenoxazine?

The IUPAC name of 2-(2,4-dimethylbenzene-6-id-1-yl)pyridine;9,9-dimethyl-10-(3-pyridin-2-ylbenzene-4-id-1-yl)acridine;bis(iridium);3-methyl-2-phenylpyridine;10-(3-pyridin-2-ylbenzene-4-id-1-yl)phenoxazine (CID 158474882) is 2-(2,4-dimethylbenzene-6-id-1-yl)pyridine;9,9-dimethyl-10-(3-pyridin-2-ylbenzene-4-id-1-yl)acridine;bis(iridium);3-methyl-2-phenylpyridine;10-(3-pyridin-2-ylbenzene-4-id-1-yl)phenoxazine.

What is the SMILES notation for 2-(2,4-dimethylbenzene-6-id-1-yl)pyridine;9,9-dimethyl-10-(3-pyridin-2-ylbenzene-4-id-1-yl)acridine;bis(iridium);3-methyl-2-phenylpyridine;10-(3-pyridin-2-ylbenzene-4-id-1-yl)phenoxazine?

The canonical SMILES for 2-(2,4-dimethylbenzene-6-id-1-yl)pyridine;9,9-dimethyl-10-(3-pyridin-2-ylbenzene-4-id-1-yl)acridine;bis(iridium);3-methyl-2-phenylpyridine;10-(3-pyridin-2-ylbenzene-4-id-1-yl)phenoxazine is CC1(C)c2ccccc2N(c2cc[c-]c(-c3ccccn3)c2)c2ccccc21.Cc1c[c-]c(-c2ccccn2)c(C)c1.Cc1cccnc1-c1[c-]cccc1.[Ir].[Ir].[c-]1ccc(N2c3ccccc3Oc3ccccc32)cc1-c1ccccn1.

What is the InChIKey of 2-(2,4-dimethylbenzene-6-id-1-yl)pyridine;9,9-dimethyl-10-(3-pyridin-2-ylbenzene-4-id-1-yl)acridine;bis(iridium);3-methyl-2-phenylpyridine;10-(3-pyridin-2-ylbenzene-4-id-1-yl)phenoxazine?

The InChIKey is QEZXXMIGMPAQAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N2.C23H15N2O.C13H12N.C12H10N.2Ir/c1-26(2)21-12-3-5-15-24(21)28(25-16-6-4-13-22(25)26)20-11-9-10-19(18-20)23-14-7-8-17-27-23;1-3-13-22-20(11-1)25(21-12-2-4-14-23(21)26-22)18-9-7-8-17(16-18)19-10-5-6-15-24-19;1-10-6-7-12(11(2)9-10)13-5-3-4-8-14-13;1-10-6-5-9-13-12(10)11-7-3-2-4-8-11;;/h3-9,11-18H,1-2H3;1-7,9-16H;3-6,8-9H,1-2H3;2-7,9H,1H3;;/q4*-1;;.

What are the key properties of 2-(2,4-dimethylbenzene-6-id-1-yl)pyridine;9,9-dimethyl-10-(3-pyridin-2-ylbenzene-4-id-1-yl)acridine;bis(iridium);3-methyl-2-phenylpyridine;10-(3-pyridin-2-ylbenzene-4-id-1-yl)phenoxazine?

2-(2,4-dimethylbenzene-6-id-1-yl)pyridine;9,9-dimethyl-10-(3-pyridin-2-ylbenzene-4-id-1-yl)acridine;bis(iridium);3-methyl-2-phenylpyridine;10-(3-pyridin-2-ylbenzene-4-id-1-yl)phenoxazine has a molecular weight of 1431.75 g/mol, XLogP of 18.80, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,4-dimethylbenzene-6-id-1-yl)pyridine;9,9-dimethyl-10-(3-pyridin-2-ylbenzene-4-id-1-yl)acridine;bis(iridium);3-methyl-2-phenylpyridine;10-(3-pyridin-2-ylbenzene-4-id-1-yl)phenoxazine is sourced from PubChem (CID 158474882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).