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

C92H88F3Ir4N16O8Pt-7 — CID 158311300

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

tetrakis(iridium);pentakis(3-methoxy-5-methyl-2-phenylpyrazine);2-(methyliminomethyl)phenol;pentane-2,4-diol;2-phenylpyridine;platinum;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine (PubChem CID 158311300) has the molecular formula C92H88F3Ir4N16O8Pt-7 and a molecular weight of 2566.76 g/mol. Its IUPAC name is tetrakis(iridium);pentakis(3-methoxy-5-methyl-2-phenylpyrazine);2-(methyliminomethyl)phenol;pentane-2,4-diol;2-phenylpyridine;platinum;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine.

Molecular Properties

• Compound Name: tetrakis(iridium);pentakis(3-methoxy-5-methyl-2-phenylpyrazine);2-(methyliminomethyl)phenol;pentane-2,4-diol;2-phenylpyridine;platinum;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine
• PubChem CID: 158311300
• Molecular Formula: C92H88F3Ir4N16O8Pt-7
• Molecular Weight: 2566.76 g/mol
• Exact Mass: 2568.51
• IUPAC Name: tetrakis(iridium);pentakis(3-methoxy-5-methyl-2-phenylpyrazine);2-(methyliminomethyl)phenol;pentane-2,4-diol;2-phenylpyridine;platinum;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine
• SMILES: C/N=C/c1ccccc1O.CC(O)CC(C)O.COc1nc(C)cnc1-c1[c-]cccc1.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].[Pt].[c-]1ccccc1-c1ccccn1
• InChI: InChI=1S/5C12H11N2O.C11H8N.C8H4F3N4.C8H9NO.C5H12O2.4Ir.Pt/c5*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;1-4(6)3-5(2)7;;;;;/h5*3-6,8H,1-2H3;1-6,8-9H;1-4H;2-6,10H,1H3;4-7H,3H2,1-2H3;;;;;/q7*-1;;;;;;;/b;;;;;;;9-6+
• InChIKey: DJFWGPVNWUYTLA-RDTGDJEXSA-N
• XLogP: 16.93
• TPSA: 313.76 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 23
• Rotatable Bonds: 15
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2566.76
LogP ≤ 5	16.93
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	23

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

The IUPAC name of tetrakis(iridium);pentakis(3-methoxy-5-methyl-2-phenylpyrazine);2-(methyliminomethyl)phenol;pentane-2,4-diol;2-phenylpyridine;platinum;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine (CID 158311300) is tetrakis(iridium);pentakis(3-methoxy-5-methyl-2-phenylpyrazine);2-(methyliminomethyl)phenol;pentane-2,4-diol;2-phenylpyridine;platinum;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine.

What is the SMILES notation for tetrakis(iridium);pentakis(3-methoxy-5-methyl-2-phenylpyrazine);2-(methyliminomethyl)phenol;pentane-2,4-diol;2-phenylpyridine;platinum;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine?

The canonical SMILES for tetrakis(iridium);pentakis(3-methoxy-5-methyl-2-phenylpyrazine);2-(methyliminomethyl)phenol;pentane-2,4-diol;2-phenylpyridine;platinum;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine is C/N=C/c1ccccc1O.CC(O)CC(C)O.COc1nc(C)cnc1-c1[c-]cccc1.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].[Pt].[c-]1ccccc1-c1ccccn1.

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

The InChIKey is DJFWGPVNWUYTLA-RDTGDJEXSA-N. The full InChI is InChI=1S/5C12H11N2O.C11H8N.C8H4F3N4.C8H9NO.C5H12O2.4Ir.Pt/c5*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;1-4(6)3-5(2)7;;;;;/h5*3-6,8H,1-2H3;1-6,8-9H;1-4H;2-6,10H,1H3;4-7H,3H2,1-2H3;;;;;/q7*-1;;;;;;;/b;;;;;;;9-6+;;;;;;.

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

tetrakis(iridium);pentakis(3-methoxy-5-methyl-2-phenylpyrazine);2-(methyliminomethyl)phenol;pentane-2,4-diol;2-phenylpyridine;platinum;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine has a molecular weight of 2566.76 g/mol, XLogP of 16.93, 15 rotatable bonds, 3 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for tetrakis(iridium);pentakis(3-methoxy-5-methyl-2-phenylpyrazine);2-(methyliminomethyl)phenol;pentane-2,4-diol;2-phenylpyridine;platinum;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine is sourced from PubChem (CID 158311300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).