tetrakis(2-(2,4-difluorobenzene-6-id-1-yl)-3,5-dimethylpyrazine);tetrakis(iridium);2-(methyliminomethyl)phenol;2-phenylpyridine;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine

C75H57F11Ir4N14O-6 — CID 157371103

About tetrakis(2-(2,4-difluorobenzene-6-id-1-yl)-3,5-dimethylpyrazine);tetrakis(iridium);2-(methyliminomethyl)phenol;2-phenylpyridine;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine

tetrakis(2-(2,4-difluorobenzene-6-id-1-yl)-3,5-dimethylpyrazine);tetrakis(iridium);2-(methyliminomethyl)phenol;2-phenylpyridine;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine (PubChem CID 157371103) has the molecular formula C75H57F11Ir4N14O-6 and a molecular weight of 2148.22 g/mol. Its IUPAC name is tetrakis(2-(2,4-difluorobenzene-6-id-1-yl)-3,5-dimethylpyrazine);tetrakis(iridium);2-(methyliminomethyl)phenol;2-phenylpyridine;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine.

Molecular Properties

• Compound Name: tetrakis(2-(2,4-difluorobenzene-6-id-1-yl)-3,5-dimethylpyrazine);tetrakis(iridium);2-(methyliminomethyl)phenol;2-phenylpyridine;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine
• PubChem CID: 157371103
• Molecular Formula: C75H57F11Ir4N14O-6
• Molecular Weight: 2148.22 g/mol
• Exact Mass: 2150.32
• IUPAC Name: tetrakis(2-(2,4-difluorobenzene-6-id-1-yl)-3,5-dimethylpyrazine);tetrakis(iridium);2-(methyliminomethyl)phenol;2-phenylpyridine;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine
• SMILES: C/N=C/c1ccccc1O.Cc1cnc(-c2[c-]cc(F)cc2F)c(C)n1.Cc1cnc(-c2[c-]cc(F)cc2F)c(C)n1.Cc1cnc(-c2[c-]cc(F)cc2F)c(C)n1.Cc1cnc(-c2[c-]cc(F)cc2F)c(C)n1.FC(F)(F)c1n[n-]c(-c2ccccn2)n1.[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccccn1
• InChI: InChI=1S/4C12H9F2N2.C11H8N.C8H4F3N4.C8H9NO.4Ir/c4*1-7-6-15-12(8(2)16-7)10-4-3-9(13)5-11(10)14;1-2-6-10(7-3-1)11-8-4-5-9-12-11;9-8(10,11)7-13-6(14-15-7)5-3-1-2-4-12-5;1-9-6-7-4-2-3-5-8(7)10;;;;/h4*3,5-6H,1-2H3;1-6,8-9H;1-4H;2-6,10H,1H3;;;;/q6*-1;;;;;/b;;;;;;9-6+
• InChIKey: NUSBBQLWLSSZLX-VHYUUHKHSA-N
• XLogP: 16.85
• TPSA: 201.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 14
• Rotatable Bonds: 7
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2148.22
LogP ≤ 5	16.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tetrakis(2-(2,4-difluorobenzene-6-id-1-yl)-3,5-dimethylpyrazine);tetrakis(iridium);2-(methyliminomethyl)phenol;2-phenylpyridine;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine?

The IUPAC name of tetrakis(2-(2,4-difluorobenzene-6-id-1-yl)-3,5-dimethylpyrazine);tetrakis(iridium);2-(methyliminomethyl)phenol;2-phenylpyridine;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine (CID 157371103) is tetrakis(2-(2,4-difluorobenzene-6-id-1-yl)-3,5-dimethylpyrazine);tetrakis(iridium);2-(methyliminomethyl)phenol;2-phenylpyridine;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine.

What is the SMILES notation for tetrakis(2-(2,4-difluorobenzene-6-id-1-yl)-3,5-dimethylpyrazine);tetrakis(iridium);2-(methyliminomethyl)phenol;2-phenylpyridine;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine?

The canonical SMILES for tetrakis(2-(2,4-difluorobenzene-6-id-1-yl)-3,5-dimethylpyrazine);tetrakis(iridium);2-(methyliminomethyl)phenol;2-phenylpyridine;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine is C/N=C/c1ccccc1O.Cc1cnc(-c2[c-]cc(F)cc2F)c(C)n1.Cc1cnc(-c2[c-]cc(F)cc2F)c(C)n1.Cc1cnc(-c2[c-]cc(F)cc2F)c(C)n1.Cc1cnc(-c2[c-]cc(F)cc2F)c(C)n1.FC(F)(F)c1n[n-]c(-c2ccccn2)n1.[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccccn1.

What is the InChIKey of tetrakis(2-(2,4-difluorobenzene-6-id-1-yl)-3,5-dimethylpyrazine);tetrakis(iridium);2-(methyliminomethyl)phenol;2-phenylpyridine;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine?

The InChIKey is NUSBBQLWLSSZLX-VHYUUHKHSA-N. The full InChI is InChI=1S/4C12H9F2N2.C11H8N.C8H4F3N4.C8H9NO.4Ir/c4*1-7-6-15-12(8(2)16-7)10-4-3-9(13)5-11(10)14;1-2-6-10(7-3-1)11-8-4-5-9-12-11;9-8(10,11)7-13-6(14-15-7)5-3-1-2-4-12-5;1-9-6-7-4-2-3-5-8(7)10;;;;/h4*3,5-6H,1-2H3;1-6,8-9H;1-4H;2-6,10H,1H3;;;;/q6*-1;;;;;/b;;;;;;9-6+;;;;.

What are the key properties of tetrakis(2-(2,4-difluorobenzene-6-id-1-yl)-3,5-dimethylpyrazine);tetrakis(iridium);2-(methyliminomethyl)phenol;2-phenylpyridine;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine?

tetrakis(2-(2,4-difluorobenzene-6-id-1-yl)-3,5-dimethylpyrazine);tetrakis(iridium);2-(methyliminomethyl)phenol;2-phenylpyridine;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine has a molecular weight of 2148.22 g/mol, XLogP of 16.85, 7 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for tetrakis(2-(2,4-difluorobenzene-6-id-1-yl)-3,5-dimethylpyrazine);tetrakis(iridium);2-(methyliminomethyl)phenol;2-phenylpyridine;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine is sourced from PubChem (CID 157371103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).