2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;bis(2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine);bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)pyridine;hexakis(iridium);tetrakis(2-pyrazol-1-ylethylazanide);bis(pyrazol-1-yloxyazanide)

C97H84F12Ir6N26O2-12 — CID 157399537

About 2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;bis(2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine);bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)pyridine;hexakis(iridium);tetrakis(2-pyrazol-1-ylethylazanide);bis(pyrazol-1-yloxyazanide)

2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;bis(2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine);bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)pyridine;hexakis(iridium);tetrakis(2-pyrazol-1-ylethylazanide);bis(pyrazol-1-yloxyazanide) (PubChem CID 157399537) has the molecular formula C97H84F12Ir6N26O2-12 and a molecular weight of 3027.20 g/mol. Its IUPAC name is 2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;bis(2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine);bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)pyridine;hexakis(iridium);tetrakis(2-pyrazol-1-ylethylazanide);bis(pyrazol-1-yloxyazanide).

Molecular Properties

• Compound Name: 2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;bis(2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine);bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)pyridine;hexakis(iridium);tetrakis(2-pyrazol-1-ylethylazanide);bis(pyrazol-1-yloxyazanide)
• PubChem CID: 157399537
• Molecular Formula: C97H84F12Ir6N26O2-12
• Molecular Weight: 3027.20 g/mol
• Exact Mass: 3030.49
• IUPAC Name: 2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;bis(2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine);bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)pyridine;hexakis(iridium);tetrakis(2-pyrazol-1-ylethylazanide);bis(pyrazol-1-yloxyazanide)
• SMILES: CN(C)c1ccnc(-c2[c-]cc(F)cc2F)c1.Cc1ccnc(-c2[c-]cc(F)cc2F)c1.Cc1ccnc(-c2[c-]cc(F)cc2F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.[C-]#[N+]c1c(F)c[c-]c(-c2ccccn2)c1F.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[NH-]CCn1cccn1.[NH-]CCn1cccn1.[NH-]CCn1cccn1.[NH-]CCn1cccn1.[NH-]On1cccn1.[NH-]On1cccn1
• InChI: InChI=1S/C13H11F2N2.C12H5F2N2.2C12H8F2N.2C11H6F2N.4C5H8N3.2C3H4N3O.6Ir/c1-17(2)10-5-6-16-13(8-10)11-4-3-9(14)7-12(11)15;1-15-12-9(13)6-5-8(11(12)14)10-4-2-3-7-16-10;2*1-8-4-5-15-12(6-8)10-3-2-9(13)7-11(10)14;2*12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;4*6-2-5-8-4-1-3-7-8;2*4-7-6-3-1-2-5-6;;;;;;/h3,5-8H,1-2H3;2-4,6-7H;2*2,4-7H,1H3;2*1-4,6-7H;4*1,3-4,6H,2,5H2;2*1-4H;;;;;;/q12*-1
• InChIKey: UIXGUULLWAVOJE-UHFFFAOYSA-N
• XLogP: 22.48
• TPSA: 353.12 Ų
• H-Bond Acceptors: 21
• Rotatable Bonds: 17
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3027.20
LogP ≤ 5	22.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;bis(2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine);bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)pyridine;hexakis(iridium);tetrakis(2-pyrazol-1-ylethylazanide);bis(pyrazol-1-yloxyazanide)?

The IUPAC name of 2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;bis(2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine);bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)pyridine;hexakis(iridium);tetrakis(2-pyrazol-1-ylethylazanide);bis(pyrazol-1-yloxyazanide) (CID 157399537) is 2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;bis(2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine);bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)pyridine;hexakis(iridium);tetrakis(2-pyrazol-1-ylethylazanide);bis(pyrazol-1-yloxyazanide).

What is the SMILES notation for 2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;bis(2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine);bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)pyridine;hexakis(iridium);tetrakis(2-pyrazol-1-ylethylazanide);bis(pyrazol-1-yloxyazanide)?

The canonical SMILES for 2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;bis(2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine);bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)pyridine;hexakis(iridium);tetrakis(2-pyrazol-1-ylethylazanide);bis(pyrazol-1-yloxyazanide) is CN(C)c1ccnc(-c2[c-]cc(F)cc2F)c1.Cc1ccnc(-c2[c-]cc(F)cc2F)c1.Cc1ccnc(-c2[c-]cc(F)cc2F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.[C-]#[N+]c1c(F)c[c-]c(-c2ccccn2)c1F.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[NH-]CCn1cccn1.[NH-]CCn1cccn1.[NH-]CCn1cccn1.[NH-]CCn1cccn1.[NH-]On1cccn1.[NH-]On1cccn1.

What is the InChIKey of 2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;bis(2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine);bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)pyridine;hexakis(iridium);tetrakis(2-pyrazol-1-ylethylazanide);bis(pyrazol-1-yloxyazanide)?

The InChIKey is UIXGUULLWAVOJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2N2.C12H5F2N2.2C12H8F2N.2C11H6F2N.4C5H8N3.2C3H4N3O.6Ir/c1-17(2)10-5-6-16-13(8-10)11-4-3-9(14)7-12(11)15;1-15-12-9(13)6-5-8(11(12)14)10-4-2-3-7-16-10;2*1-8-4-5-15-12(6-8)10-3-2-9(13)7-11(10)14;2*12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;4*6-2-5-8-4-1-3-7-8;2*4-7-6-3-1-2-5-6;;;;;;/h3,5-8H,1-2H3;2-4,6-7H;2*2,4-7H,1H3;2*1-4,6-7H;4*1,3-4,6H,2,5H2;2*1-4H;;;;;;/q12*-1;;;;;;.

What are the key properties of 2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;bis(2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine);bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)pyridine;hexakis(iridium);tetrakis(2-pyrazol-1-ylethylazanide);bis(pyrazol-1-yloxyazanide)?

2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;bis(2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine);bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)pyridine;hexakis(iridium);tetrakis(2-pyrazol-1-ylethylazanide);bis(pyrazol-1-yloxyazanide) has a molecular weight of 3027.20 g/mol, XLogP of 22.48, 17 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;bis(2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine);bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)pyridine;hexakis(iridium);tetrakis(2-pyrazol-1-ylethylazanide);bis(pyrazol-1-yloxyazanide) is sourced from PubChem (CID 157399537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).