2-(3,5-dimethylbenzene-6-id-1-yl)-4-methyl-5-phenylpyridine;fluoroform;tetrakis(iridium);5-(2-methylphenyl)-2-phenylpyridine;3-methyl-2-phenylpyridine;2-(6-phenyl-3-pyridinyl)phenol;2-phenyl-4-[2-(trifluoromethyl)phenyl]pyridine

C86H66F6Ir4N5O-5 — CID 160925348

About 2-(3,5-dimethylbenzene-6-id-1-yl)-4-methyl-5-phenylpyridine;fluoroform;tetrakis(iridium);5-(2-methylphenyl)-2-phenylpyridine;3-methyl-2-phenylpyridine;2-(6-phenyl-3-pyridinyl)phenol;2-phenyl-4-[2-(trifluoromethyl)phenyl]pyridine

2-(3,5-dimethylbenzene-6-id-1-yl)-4-methyl-5-phenylpyridine;fluoroform;tetrakis(iridium);5-(2-methylphenyl)-2-phenylpyridine;3-methyl-2-phenylpyridine;2-(6-phenyl-3-pyridinyl)phenol;2-phenyl-4-[2-(trifluoromethyl)phenyl]pyridine (PubChem CID 160925348) has the molecular formula C86H66F6Ir4N5O-5 and a molecular weight of 2068.36 g/mol. Its IUPAC name is 2-(3,5-dimethylbenzene-6-id-1-yl)-4-methyl-5-phenylpyridine;fluoroform;tetrakis(iridium);5-(2-methylphenyl)-2-phenylpyridine;3-methyl-2-phenylpyridine;2-(6-phenyl-3-pyridinyl)phenol;2-phenyl-4-[2-(trifluoromethyl)phenyl]pyridine.

Molecular Properties

• Compound Name: 2-(3,5-dimethylbenzene-6-id-1-yl)-4-methyl-5-phenylpyridine;fluoroform;tetrakis(iridium);5-(2-methylphenyl)-2-phenylpyridine;3-methyl-2-phenylpyridine;2-(6-phenyl-3-pyridinyl)phenol;2-phenyl-4-[2-(trifluoromethyl)phenyl]pyridine
• PubChem CID: 160925348
• Molecular Formula: C86H66F6Ir4N5O-5
• Molecular Weight: 2068.36 g/mol
• Exact Mass: 2070.37
• IUPAC Name: 2-(3,5-dimethylbenzene-6-id-1-yl)-4-methyl-5-phenylpyridine;fluoroform;tetrakis(iridium);5-(2-methylphenyl)-2-phenylpyridine;3-methyl-2-phenylpyridine;2-(6-phenyl-3-pyridinyl)phenol;2-phenyl-4-[2-(trifluoromethyl)phenyl]pyridine
• SMILES: Cc1[c-]c(-c2cc(C)c(-c3ccccc3)cn2)cc(C)c1.Cc1ccccc1-c1ccc(-c2[c-]cccc2)nc1.Cc1cccnc1-c1[c-]cccc1.FC(F)(F)c1ccccc1-c1ccnc(-c2[c-]cccc2)c1.FC(F)F.Oc1ccccc1-c1ccc(-c2[c-]cccc2)nc1.[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/C20H18N.C18H11F3N.C18H14N.C17H12NO.C12H10N.CHF3.4Ir/c1-14-9-15(2)11-18(10-14)20-12-16(3)19(13-21-20)17-7-5-4-6-8-17;19-18(20,21)16-9-5-4-8-15(16)14-10-11-22-17(12-14)13-6-2-1-3-7-13;1-14-7-5-6-10-17(14)16-11-12-18(19-13-16)15-8-3-2-4-9-15;19-17-9-5-4-8-15(17)14-10-11-16(18-12-14)13-6-2-1-3-7-13;1-10-6-5-9-13-12(10)11-7-3-2-4-8-11;2-1(3)4;;;;/h4-10,12-13H,1-3H3;1-6,8-12H;2-8,10-13H,1H3;1-6,8-12,19H;2-7,9H,1H3;1H;;;;/q5*-1
• InChIKey: HYGJWIUGDCOZPH-UHFFFAOYSA-N
• XLogP: 22.85
• TPSA: 84.68 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2068.36
LogP ≤ 5	22.85
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 2-(3,5-dimethylbenzene-6-id-1-yl)-4-methyl-5-phenylpyridine;fluoroform;tetrakis(iridium);5-(2-methylphenyl)-2-phenylpyridine;3-methyl-2-phenylpyridine;2-(6-phenyl-3-pyridinyl)phenol;2-phenyl-4-[2-(trifluoromethyl)phenyl]pyridine?

The IUPAC name of 2-(3,5-dimethylbenzene-6-id-1-yl)-4-methyl-5-phenylpyridine;fluoroform;tetrakis(iridium);5-(2-methylphenyl)-2-phenylpyridine;3-methyl-2-phenylpyridine;2-(6-phenyl-3-pyridinyl)phenol;2-phenyl-4-[2-(trifluoromethyl)phenyl]pyridine (CID 160925348) is 2-(3,5-dimethylbenzene-6-id-1-yl)-4-methyl-5-phenylpyridine;fluoroform;tetrakis(iridium);5-(2-methylphenyl)-2-phenylpyridine;3-methyl-2-phenylpyridine;2-(6-phenyl-3-pyridinyl)phenol;2-phenyl-4-[2-(trifluoromethyl)phenyl]pyridine.

What is the SMILES notation for 2-(3,5-dimethylbenzene-6-id-1-yl)-4-methyl-5-phenylpyridine;fluoroform;tetrakis(iridium);5-(2-methylphenyl)-2-phenylpyridine;3-methyl-2-phenylpyridine;2-(6-phenyl-3-pyridinyl)phenol;2-phenyl-4-[2-(trifluoromethyl)phenyl]pyridine?

The canonical SMILES for 2-(3,5-dimethylbenzene-6-id-1-yl)-4-methyl-5-phenylpyridine;fluoroform;tetrakis(iridium);5-(2-methylphenyl)-2-phenylpyridine;3-methyl-2-phenylpyridine;2-(6-phenyl-3-pyridinyl)phenol;2-phenyl-4-[2-(trifluoromethyl)phenyl]pyridine is Cc1[c-]c(-c2cc(C)c(-c3ccccc3)cn2)cc(C)c1.Cc1ccccc1-c1ccc(-c2[c-]cccc2)nc1.Cc1cccnc1-c1[c-]cccc1.FC(F)(F)c1ccccc1-c1ccnc(-c2[c-]cccc2)c1.FC(F)F.Oc1ccccc1-c1ccc(-c2[c-]cccc2)nc1.[Ir].[Ir].[Ir].[Ir].

What is the InChIKey of 2-(3,5-dimethylbenzene-6-id-1-yl)-4-methyl-5-phenylpyridine;fluoroform;tetrakis(iridium);5-(2-methylphenyl)-2-phenylpyridine;3-methyl-2-phenylpyridine;2-(6-phenyl-3-pyridinyl)phenol;2-phenyl-4-[2-(trifluoromethyl)phenyl]pyridine?

The InChIKey is HYGJWIUGDCOZPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N.C18H11F3N.C18H14N.C17H12NO.C12H10N.CHF3.4Ir/c1-14-9-15(2)11-18(10-14)20-12-16(3)19(13-21-20)17-7-5-4-6-8-17;19-18(20,21)16-9-5-4-8-15(16)14-10-11-22-17(12-14)13-6-2-1-3-7-13;1-14-7-5-6-10-17(14)16-11-12-18(19-13-16)15-8-3-2-4-9-15;19-17-9-5-4-8-15(17)14-10-11-16(18-12-14)13-6-2-1-3-7-13;1-10-6-5-9-13-12(10)11-7-3-2-4-8-11;2-1(3)4;;;;/h4-10,12-13H,1-3H3;1-6,8-12H;2-8,10-13H,1H3;1-6,8-12,19H;2-7,9H,1H3;1H;;;;/q5*-1;;;;;.

What are the key properties of 2-(3,5-dimethylbenzene-6-id-1-yl)-4-methyl-5-phenylpyridine;fluoroform;tetrakis(iridium);5-(2-methylphenyl)-2-phenylpyridine;3-methyl-2-phenylpyridine;2-(6-phenyl-3-pyridinyl)phenol;2-phenyl-4-[2-(trifluoromethyl)phenyl]pyridine?

2-(3,5-dimethylbenzene-6-id-1-yl)-4-methyl-5-phenylpyridine;fluoroform;tetrakis(iridium);5-(2-methylphenyl)-2-phenylpyridine;3-methyl-2-phenylpyridine;2-(6-phenyl-3-pyridinyl)phenol;2-phenyl-4-[2-(trifluoromethyl)phenyl]pyridine has a molecular weight of 2068.36 g/mol, XLogP of 22.85, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3,5-dimethylbenzene-6-id-1-yl)-4-methyl-5-phenylpyridine;fluoroform;tetrakis(iridium);5-(2-methylphenyl)-2-phenylpyridine;3-methyl-2-phenylpyridine;2-(6-phenyl-3-pyridinyl)phenol;2-phenyl-4-[2-(trifluoromethyl)phenyl]pyridine is sourced from PubChem (CID 160925348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).