tetrakis(5-(4-fluorophenyl)-3-phenyl-2-phenylpyrazine);2-hydroxybenzaldehyde;tetrakis(iridium);2-(methyliminomethyl)phenol;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;1-[tri(pyrazol-1-yl)methyl]pyrazole

About tetrakis(5-(4-fluorophenyl)-3-phenyl-2-phenylpyrazine);2-hydroxybenzaldehyde;tetrakis(iridium);2-(methyliminomethyl)phenol;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;1-[tri(pyrazol-1-yl)methyl]pyrazole

tetrakis(5-(4-fluorophenyl)-3-phenyl-2-phenylpyrazine);2-hydroxybenzaldehyde;tetrakis(iridium);2-(methyliminomethyl)phenol;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;1-[tri(pyrazol-1-yl)methyl]pyrazole (PubChem CID 159944180) has the molecular formula C124H87F7Ir4N21O3-5 and a molecular weight of 2821.06 g/mol. Its IUPAC name is tetrakis(5-(4-fluorophenyl)-3-phenyl-2-phenylpyrazine);2-hydroxybenzaldehyde;tetrakis(iridium);2-(methyliminomethyl)phenol;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;1-[tri(pyrazol-1-yl)methyl]pyrazole.

Molecular Properties

Compound Name	tetrakis(5-(4-fluorophenyl)-3-phenyl-2-phenylpyrazine);2-hydroxybenzaldehyde;tetrakis(iridium);2-(methyliminomethyl)phenol;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;1-[tri(pyrazol-1-yl)methyl]pyrazole
PubChem CID	159944180
Molecular Formula	C124H87F7Ir4N21O3-5
Molecular Weight	2821.06 g/mol
Exact Mass	2822.57
IUPAC Name	tetrakis(5-(4-fluorophenyl)-3-phenyl-2-phenylpyrazine);2-hydroxybenzaldehyde;tetrakis(iridium);2-(methyliminomethyl)phenol;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;1-[tri(pyrazol-1-yl)methyl]pyrazole
SMILES	C/N=C/c1ccccc1O.FC(F)(F)c1n[n-]c(-c2ccccn2)n1.Fc1ccc(-c2cnc(-c3[c-]cccc3)c(-c3ccccc3)n2)cc1.Fc1ccc(-c2cnc(-c3[c-]cccc3)c(-c3ccccc3)n2)cc1.Fc1ccc(-c2cnc(-c3[c-]cccc3)c(-c3ccccc3)n2)cc1.Fc1ccc(-c2cnc(-c3[c-]cccc3)c(-c3ccccc3)n2)cc1.O=Cc1ccccc1O.[Ir].[Ir].[Ir].[Ir].c1cnn(C(n2cccn2)(n2cccn2)n2cccn2)c1
InChI	InChI=1S/4C22H14FN2.C13H12N8.C8H4F3N4.C8H9NO.C7H6O2.4Ir/c423-19-13-11-16(12-14-19)20-15-24-21(17-7-3-1-4-8-17)22(25-20)18-9-5-2-6-10-18;1-5-14-18(9-1)13(19-10-2-6-15-19,20-11-3-7-16-20)21-12-4-8-17-21;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;8-5-6-3-1-2-4-7(6)9;;;;/h41-7,9-15H;1-12H;1-4H;2-6,10H,1H3;1-5,9H;;;;/q4*-1;;-1;;;;;;/b;;;;;;9-6+;;;;;
InChIKey	SJKYSQKWEJVHLZ-YBANUOKKSA-N
XLogP	26.50
TPSA	297.06 Å²
H-Bond Donors	2
H-Bond Acceptors	23
Rotatable Bonds	19
Heavy Atoms	159
Complexity	—

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2821.06
LogP ≤ 5	26.50
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of tetrakis(5-(4-fluorophenyl)-3-phenyl-2-phenylpyrazine);2-hydroxybenzaldehyde;tetrakis(iridium);2-(methyliminomethyl)phenol;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;1-[tri(pyrazol-1-yl)methyl]pyrazole?

The IUPAC name of tetrakis(5-(4-fluorophenyl)-3-phenyl-2-phenylpyrazine);2-hydroxybenzaldehyde;tetrakis(iridium);2-(methyliminomethyl)phenol;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;1-[tri(pyrazol-1-yl)methyl]pyrazole (CID 159944180) is tetrakis(5-(4-fluorophenyl)-3-phenyl-2-phenylpyrazine);2-hydroxybenzaldehyde;tetrakis(iridium);2-(methyliminomethyl)phenol;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;1-[tri(pyrazol-1-yl)methyl]pyrazole.

What is the SMILES notation for tetrakis(5-(4-fluorophenyl)-3-phenyl-2-phenylpyrazine);2-hydroxybenzaldehyde;tetrakis(iridium);2-(methyliminomethyl)phenol;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;1-[tri(pyrazol-1-yl)methyl]pyrazole?

The canonical SMILES for tetrakis(5-(4-fluorophenyl)-3-phenyl-2-phenylpyrazine);2-hydroxybenzaldehyde;tetrakis(iridium);2-(methyliminomethyl)phenol;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;1-[tri(pyrazol-1-yl)methyl]pyrazole is C/N=C/c1ccccc1O.FC(F)(F)c1n[n-]c(-c2ccccn2)n1.Fc1ccc(-c2cnc(-c3[c-]cccc3)c(-c3ccccc3)n2)cc1.Fc1ccc(-c2cnc(-c3[c-]cccc3)c(-c3ccccc3)n2)cc1.Fc1ccc(-c2cnc(-c3[c-]cccc3)c(-c3ccccc3)n2)cc1.Fc1ccc(-c2cnc(-c3[c-]cccc3)c(-c3ccccc3)n2)cc1.O=Cc1ccccc1O.[Ir].[Ir].[Ir].[Ir].c1cnn(C(n2cccn2)(n2cccn2)n2cccn2)c1.

What is the InChIKey of tetrakis(5-(4-fluorophenyl)-3-phenyl-2-phenylpyrazine);2-hydroxybenzaldehyde;tetrakis(iridium);2-(methyliminomethyl)phenol;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;1-[tri(pyrazol-1-yl)methyl]pyrazole?

The InChIKey is SJKYSQKWEJVHLZ-YBANUOKKSA-N. The full InChI is InChI=1S/4C22H14FN2.C13H12N8.C8H4F3N4.C8H9NO.C7H6O2.4Ir/c4*23-19-13-11-16(12-14-19)20-15-24-21(17-7-3-1-4-8-17)22(25-20)18-9-5-2-6-10-18;1-5-14-18(9-1)13(19-10-2-6-15-19,20-11-3-7-16-20)21-12-4-8-17-21;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;8-5-6-3-1-2-4-7(6)9;;;;/h4*1-7,9-15H;1-12H;1-4H;2-6,10H,1H3;1-5,9H;;;;/q4*-1;;-1;;;;;;/b;;;;;;9-6+;;;;;.

What are the key properties of tetrakis(5-(4-fluorophenyl)-3-phenyl-2-phenylpyrazine);2-hydroxybenzaldehyde;tetrakis(iridium);2-(methyliminomethyl)phenol;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;1-[tri(pyrazol-1-yl)methyl]pyrazole?

Where does this data come from?

All data for tetrakis(5-(4-fluorophenyl)-3-phenyl-2-phenylpyrazine);2-hydroxybenzaldehyde;tetrakis(iridium);2-(methyliminomethyl)phenol;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;1-[tri(pyrazol-1-yl)methyl]pyrazole is sourced from PubChem (CID 159944180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).