tetrakis(iridium);tetrakis(3-methoxy-5-methyl-2-phenylpyrazine);2-(methyliminomethyl)phenol;2-phenylpyridine;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine

C75H65F3Ir4N14O5-6 — CID 159216104

About tetrakis(iridium);tetrakis(3-methoxy-5-methyl-2-phenylpyrazine);2-(methyliminomethyl)phenol;2-phenylpyridine;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine

tetrakis(iridium);tetrakis(3-methoxy-5-methyl-2-phenylpyrazine);2-(methyliminomethyl)phenol;2-phenylpyridine;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine (PubChem CID 159216104) has the molecular formula C75H65F3Ir4N14O5-6 and a molecular weight of 2068.30 g/mol. Its IUPAC name is tetrakis(iridium);tetrakis(3-methoxy-5-methyl-2-phenylpyrazine);2-(methyliminomethyl)phenol;2-phenylpyridine;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine.

Molecular Properties

• Compound Name: tetrakis(iridium);tetrakis(3-methoxy-5-methyl-2-phenylpyrazine);2-(methyliminomethyl)phenol;2-phenylpyridine;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine
• PubChem CID: 159216104
• Molecular Formula: C75H65F3Ir4N14O5-6
• Molecular Weight: 2068.30 g/mol
• Exact Mass: 2070.38
• IUPAC Name: tetrakis(iridium);tetrakis(3-methoxy-5-methyl-2-phenylpyrazine);2-(methyliminomethyl)phenol;2-phenylpyridine;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine
• SMILES: C/N=C/c1ccccc1O.COc1nc(C)cnc1-c1[c-]cccc1.COc1nc(C)cnc1-c1[c-]cccc1.COc1nc(C)cnc1-c1[c-]cccc1.COc1nc(C)cnc1-c1[c-]cccc1.FC(F)(F)c1n[n-]c(-c2ccccn2)n1.[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccccn1
• InChI: InChI=1S/4C12H11N2O.C11H8N.C8H4F3N4.C8H9NO.4Ir/c4*1-9-8-13-11(12(14-9)15-2)10-6-4-3-5-7-10;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*3-6,8H,1-2H3;1-6,8-9H;1-4H;2-6,10H,1H3;;;;/q6*-1;;;;;/b;;;;;;9-6+
• InChIKey: NLRRSAFPCBWEMN-VHYUUHKHSA-N
• XLogP: 14.54
• TPSA: 238.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 18
• Rotatable Bonds: 11
• Heavy Atoms: 101
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2068.30
LogP ≤ 5	14.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	18

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(iridium);tetrakis(3-methoxy-5-methyl-2-phenylpyrazine);2-(methyliminomethyl)phenol;2-phenylpyridine;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine?

The IUPAC name of tetrakis(iridium);tetrakis(3-methoxy-5-methyl-2-phenylpyrazine);2-(methyliminomethyl)phenol;2-phenylpyridine;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine (CID 159216104) is tetrakis(iridium);tetrakis(3-methoxy-5-methyl-2-phenylpyrazine);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(iridium);tetrakis(3-methoxy-5-methyl-2-phenylpyrazine);2-(methyliminomethyl)phenol;2-phenylpyridine;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine?

The canonical SMILES for tetrakis(iridium);tetrakis(3-methoxy-5-methyl-2-phenylpyrazine);2-(methyliminomethyl)phenol;2-phenylpyridine;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine is C/N=C/c1ccccc1O.COc1nc(C)cnc1-c1[c-]cccc1.COc1nc(C)cnc1-c1[c-]cccc1.COc1nc(C)cnc1-c1[c-]cccc1.COc1nc(C)cnc1-c1[c-]cccc1.FC(F)(F)c1n[n-]c(-c2ccccn2)n1.[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccccn1.

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

The InChIKey is NLRRSAFPCBWEMN-VHYUUHKHSA-N. The full InChI is InChI=1S/4C12H11N2O.C11H8N.C8H4F3N4.C8H9NO.4Ir/c4*1-9-8-13-11(12(14-9)15-2)10-6-4-3-5-7-10;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*3-6,8H,1-2H3;1-6,8-9H;1-4H;2-6,10H,1H3;;;;/q6*-1;;;;;/b;;;;;;9-6+;;;;.

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

tetrakis(iridium);tetrakis(3-methoxy-5-methyl-2-phenylpyrazine);2-(methyliminomethyl)phenol;2-phenylpyridine;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine has a molecular weight of 2068.30 g/mol, XLogP of 14.54, 11 rotatable bonds, 1 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for tetrakis(iridium);tetrakis(3-methoxy-5-methyl-2-phenylpyrazine);2-(methyliminomethyl)phenol;2-phenylpyridine;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine is sourced from PubChem (CID 159216104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).