2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;hexakis(iridium);2-methyl-5-pyridin-2-ylbenzene-6-ide-1-carbonitrile;2-phenylpyridine;3-pyridin-2-ylbenzene-2-ide-1-carbonitrile;3-pyridin-2-yl-5-(trifluoromethyl)benzene-2-ide-1-carbonitrile;hexakis(1-pyrrol-1-id-2-ylethanone)

C109H78F11Ir6N15O6-12 — CID 162032740

About 2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;hexakis(iridium);2-methyl-5-pyridin-2-ylbenzene-6-ide-1-carbonitrile;2-phenylpyridine;3-pyridin-2-ylbenzene-2-ide-1-carbonitrile;3-pyridin-2-yl-5-(trifluoromethyl)benzene-2-ide-1-carbonitrile;hexakis(1-pyrrol-1-id-2-ylethanone)

2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;hexakis(iridium);2-methyl-5-pyridin-2-ylbenzene-6-ide-1-carbonitrile;2-phenylpyridine;3-pyridin-2-ylbenzene-2-ide-1-carbonitrile;3-pyridin-2-yl-5-(trifluoromethyl)benzene-2-ide-1-carbonitrile;hexakis(1-pyrrol-1-id-2-ylethanone) (PubChem CID 162032740) has the molecular formula C109H78F11Ir6N15O6-12 and a molecular weight of 3056.20 g/mol. Its IUPAC name is 2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;hexakis(iridium);2-methyl-5-pyridin-2-ylbenzene-6-ide-1-carbonitrile;2-phenylpyridine;3-pyridin-2-ylbenzene-2-ide-1-carbonitrile;3-pyridin-2-yl-5-(trifluoromethyl)benzene-2-ide-1-carbonitrile;hexakis(1-pyrrol-1-id-2-ylethanone).

Molecular Properties

• Compound Name: 2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;hexakis(iridium);2-methyl-5-pyridin-2-ylbenzene-6-ide-1-carbonitrile;2-phenylpyridine;3-pyridin-2-ylbenzene-2-ide-1-carbonitrile;3-pyridin-2-yl-5-(trifluoromethyl)benzene-2-ide-1-carbonitrile;hexakis(1-pyrrol-1-id-2-ylethanone)
• PubChem CID: 162032740
• Molecular Formula: C109H78F11Ir6N15O6-12
• Molecular Weight: 3056.20 g/mol
• Exact Mass: 3059.39
• IUPAC Name: 2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;hexakis(iridium);2-methyl-5-pyridin-2-ylbenzene-6-ide-1-carbonitrile;2-phenylpyridine;3-pyridin-2-ylbenzene-2-ide-1-carbonitrile;3-pyridin-2-yl-5-(trifluoromethyl)benzene-2-ide-1-carbonitrile;hexakis(1-pyrrol-1-id-2-ylethanone)
• SMILES: CC(=O)c1ccc[n-]1.CC(=O)c1ccc[n-]1.CC(=O)c1ccc[n-]1.CC(=O)c1ccc[n-]1.CC(=O)c1ccc[n-]1.CC(=O)c1ccc[n-]1.Cc1ccc(-c2ccccn2)[c-]c1C#N.FC(F)(F)c1[c-]c(-c2ccccn2)cc(C(F)(F)F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.N#Cc1[c-]c(-c2ccccn2)cc(C(F)(F)F)c1.N#Cc1[c-]c(-c2ccccn2)ccc1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccccn1
• InChI: InChI=1S/C13H6F6N.C13H6F3N2.C13H9N2.C12H7N2.C11H6F2N.C11H8N.6C6H7NO.6Ir/c14-12(15,16)9-5-8(11-3-1-2-4-20-11)6-10(7-9)13(17,18)19;14-13(15,16)11-6-9(8-17)5-10(7-11)12-3-1-2-4-18-12;1-10-5-6-11(8-12(10)9-14)13-4-2-3-7-15-13;13-9-10-4-3-5-11(8-10)12-6-1-2-7-14-12;12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;1-2-6-10(7-3-1)11-8-4-5-9-12-11;6*1-5(8)6-3-2-4-7-6;;;;;;/h1-5,7H;1-4,6-7H;2-7H,1H3;1-7H;1-4,6-7H;1-6,8-9H;6*2-4H,1H3,(H,7,8);;;;;;/q6*-1;;;;;;;;;;;;/p-6
• InChIKey: ZXQRKIGEYWFTHZ-UHFFFAOYSA-H
• XLogP: 23.61
• TPSA: 335.73 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 12
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3056.20
LogP ≤ 5	23.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

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-bis(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;hexakis(iridium);2-methyl-5-pyridin-2-ylbenzene-6-ide-1-carbonitrile;2-phenylpyridine;3-pyridin-2-ylbenzene-2-ide-1-carbonitrile;3-pyridin-2-yl-5-(trifluoromethyl)benzene-2-ide-1-carbonitrile;hexakis(1-pyrrol-1-id-2-ylethanone)?

The IUPAC name of 2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;hexakis(iridium);2-methyl-5-pyridin-2-ylbenzene-6-ide-1-carbonitrile;2-phenylpyridine;3-pyridin-2-ylbenzene-2-ide-1-carbonitrile;3-pyridin-2-yl-5-(trifluoromethyl)benzene-2-ide-1-carbonitrile;hexakis(1-pyrrol-1-id-2-ylethanone) (CID 162032740) is 2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;hexakis(iridium);2-methyl-5-pyridin-2-ylbenzene-6-ide-1-carbonitrile;2-phenylpyridine;3-pyridin-2-ylbenzene-2-ide-1-carbonitrile;3-pyridin-2-yl-5-(trifluoromethyl)benzene-2-ide-1-carbonitrile;hexakis(1-pyrrol-1-id-2-ylethanone).

What is the SMILES notation for 2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;hexakis(iridium);2-methyl-5-pyridin-2-ylbenzene-6-ide-1-carbonitrile;2-phenylpyridine;3-pyridin-2-ylbenzene-2-ide-1-carbonitrile;3-pyridin-2-yl-5-(trifluoromethyl)benzene-2-ide-1-carbonitrile;hexakis(1-pyrrol-1-id-2-ylethanone)?

The canonical SMILES for 2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;hexakis(iridium);2-methyl-5-pyridin-2-ylbenzene-6-ide-1-carbonitrile;2-phenylpyridine;3-pyridin-2-ylbenzene-2-ide-1-carbonitrile;3-pyridin-2-yl-5-(trifluoromethyl)benzene-2-ide-1-carbonitrile;hexakis(1-pyrrol-1-id-2-ylethanone) is CC(=O)c1ccc[n-]1.CC(=O)c1ccc[n-]1.CC(=O)c1ccc[n-]1.CC(=O)c1ccc[n-]1.CC(=O)c1ccc[n-]1.CC(=O)c1ccc[n-]1.Cc1ccc(-c2ccccn2)[c-]c1C#N.FC(F)(F)c1[c-]c(-c2ccccn2)cc(C(F)(F)F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.N#Cc1[c-]c(-c2ccccn2)cc(C(F)(F)F)c1.N#Cc1[c-]c(-c2ccccn2)ccc1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccccn1.

What is the InChIKey of 2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;hexakis(iridium);2-methyl-5-pyridin-2-ylbenzene-6-ide-1-carbonitrile;2-phenylpyridine;3-pyridin-2-ylbenzene-2-ide-1-carbonitrile;3-pyridin-2-yl-5-(trifluoromethyl)benzene-2-ide-1-carbonitrile;hexakis(1-pyrrol-1-id-2-ylethanone)?

The InChIKey is ZXQRKIGEYWFTHZ-UHFFFAOYSA-H. The full InChI is InChI=1S/C13H6F6N.C13H6F3N2.C13H9N2.C12H7N2.C11H6F2N.C11H8N.6C6H7NO.6Ir/c14-12(15,16)9-5-8(11-3-1-2-4-20-11)6-10(7-9)13(17,18)19;14-13(15,16)11-6-9(8-17)5-10(7-11)12-3-1-2-4-18-12;1-10-5-6-11(8-12(10)9-14)13-4-2-3-7-15-13;13-9-10-4-3-5-11(8-10)12-6-1-2-7-14-12;12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;1-2-6-10(7-3-1)11-8-4-5-9-12-11;6*1-5(8)6-3-2-4-7-6;;;;;;/h1-5,7H;1-4,6-7H;2-7H,1H3;1-7H;1-4,6-7H;1-6,8-9H;6*2-4H,1H3,(H,7,8);;;;;;/q6*-1;;;;;;;;;;;;/p-6.

What are the key properties of 2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;hexakis(iridium);2-methyl-5-pyridin-2-ylbenzene-6-ide-1-carbonitrile;2-phenylpyridine;3-pyridin-2-ylbenzene-2-ide-1-carbonitrile;3-pyridin-2-yl-5-(trifluoromethyl)benzene-2-ide-1-carbonitrile;hexakis(1-pyrrol-1-id-2-ylethanone)?

2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;hexakis(iridium);2-methyl-5-pyridin-2-ylbenzene-6-ide-1-carbonitrile;2-phenylpyridine;3-pyridin-2-ylbenzene-2-ide-1-carbonitrile;3-pyridin-2-yl-5-(trifluoromethyl)benzene-2-ide-1-carbonitrile;hexakis(1-pyrrol-1-id-2-ylethanone) has a molecular weight of 3056.20 g/mol, XLogP of 23.61, 12 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;hexakis(iridium);2-methyl-5-pyridin-2-ylbenzene-6-ide-1-carbonitrile;2-phenylpyridine;3-pyridin-2-ylbenzene-2-ide-1-carbonitrile;3-pyridin-2-yl-5-(trifluoromethyl)benzene-2-ide-1-carbonitrile;hexakis(1-pyrrol-1-id-2-ylethanone) is sourced from PubChem (CID 162032740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).