2-(1,2-diaza-3-azanidacyclopenta-1,4-dien-4-yl)pyridine;hexakis(1-(4-fluorobenzene-6-id-1-yl)-3-(4-fluorophenyl)-4,5-diphenyl-2H-imidazol-3-ium-2-ide);tris(iridium);2-pyrazol-2-id-3-ylpyridine;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine

C185H117F15Ir3N23-9 — CID 158388833

IUPAC2-(1,2-diaza-3-azanidacyclopenta-1,4-dien-4-yl)pyridine;hexakis(1-(4-fluorobenzene-6-id-1-yl)-3-(4-fluorophenyl)-4,5-diphenyl-2H-imidazol-3-ium-2-ide);tris(iridium);2-pyrazol-2-id-3-ylpyridine;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine
SMILESFC(F)(F)c1n[n-]c(-c2ccccn2)n1.Fc1c[c-]c(-n2[c-][n+](-c3ccc(F)cc3)c(-c3ccccc3)c2-c2ccccc2)cc1.Fc1c[c-]c(-n2[c-][n+](-c3ccc(F)cc3)c(-c3ccccc3)c2-c2ccccc2)cc1.Fc1c[c-]c(-n2[c-][n+](-c3ccc(F)cc3)c(-c3ccccc3)c2-c2ccccc2)cc1.Fc1c[c-]c(-n2[c-][n+](-c3ccc(F)cc3)c(-c3ccccc3)c2-c2ccccc2)cc1.Fc1c[c-]c(-n2[c-][n+](-c3ccc(F)cc3)c(-c3ccccc3)c2-c2ccccc2)cc1.Fc1c[c-]c(-n2[c-][n+](-c3ccc(F)cc3)c(-c3ccccc3)c2-c2ccccc2)cc1.[Ir].[Ir].[Ir].c1ccc(-c2ccn[n-]2)nc1.c1ccc(-c2cnn[n-]2)nc1
InChIInChI=1S/6C27H17F2N2.C8H4F3N4.C8H6N3.C7H5N4.3Ir/c6*28-22-11-15-24(16-12-22)30-19-31(25-17-13-23(29)14-18-25)27(21-9-5-2-6-10-21)26(30)20-7-3-1-4-8-20;9-8(10,11)7-13-6(14-15-7)5-3-1-2-4-12-5;1-2-5-9-7(3-1)8-4-6-10-11-8;1-2-4-8-6(3-1)7-5-9-11-10-7;;;/h6*1-17H;1-4H;1-6H;1-5H;;;/q9*-1;;;
InChIKeyJBDFRYPMOUYTNF-UHFFFAOYSA-N
MW3523.75 g/mol
LogP38.90
Rot. Bonds27

About 2-(1,2-diaza-3-azanidacyclopenta-1,4-dien-4-yl)pyridine;hexakis(1-(4-fluorobenzene-6-id-1-yl)-3-(4-fluorophenyl)-4,5-diphenyl-2H-imidazol-3-ium-2-ide);tris(iridium);2-pyrazol-2-id-3-ylpyridine;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine

2-(1,2-diaza-3-azanidacyclopenta-1,4-dien-4-yl)pyridine;hexakis(1-(4-fluorobenzene-6-id-1-yl)-3-(4-fluorophenyl)-4,5-diphenyl-2H-imidazol-3-ium-2-ide);tris(iridium);2-pyrazol-2-id-3-ylpyridine;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine (PubChem CID 158388833) has the molecular formula C185H117F15Ir3N23-9 and a molecular weight of 3523.75 g/mol. Its IUPAC name is 2-(1,2-diaza-3-azanidacyclopenta-1,4-dien-4-yl)pyridine;hexakis(1-(4-fluorobenzene-6-id-1-yl)-3-(4-fluorophenyl)-4,5-diphenyl-2H-imidazol-3-ium-2-ide);tris(iridium);2-pyrazol-2-id-3-ylpyridine;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine.

Molecular Properties

Compound Name2-(1,2-diaza-3-azanidacyclopenta-1,4-dien-4-yl)pyridine;hexakis(1-(4-fluorobenzene-6-id-1-yl)-3-(4-fluorophenyl)-4,5-diphenyl-2H-imidazol-3-ium-2-ide);tris(iridium);2-pyrazol-2-id-3-ylpyridine;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine
PubChem CID158388833
Molecular FormulaC185H117F15Ir3N23-9
Molecular Weight3523.75 g/mol
Exact Mass3523.86
IUPAC Name2-(1,2-diaza-3-azanidacyclopenta-1,4-dien-4-yl)pyridine;hexakis(1-(4-fluorobenzene-6-id-1-yl)-3-(4-fluorophenyl)-4,5-diphenyl-2H-imidazol-3-ium-2-ide);tris(iridium);2-pyrazol-2-id-3-ylpyridine;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine
SMILESFC(F)(F)c1n[n-]c(-c2ccccn2)n1.Fc1c[c-]c(-n2[c-][n+](-c3ccc(F)cc3)c(-c3ccccc3)c2-c2ccccc2)cc1.Fc1c[c-]c(-n2[c-][n+](-c3ccc(F)cc3)c(-c3ccccc3)c2-c2ccccc2)cc1.Fc1c[c-]c(-n2[c-][n+](-c3ccc(F)cc3)c(-c3ccccc3)c2-c2ccccc2)cc1.Fc1c[c-]c(-n2[c-][n+](-c3ccc(F)cc3)c(-c3ccccc3)c2-c2ccccc2)cc1.Fc1c[c-]c(-n2[c-][n+](-c3ccc(F)cc3)c(-c3ccccc3)c2-c2ccccc2)cc1.Fc1c[c-]c(-n2[c-][n+](-c3ccc(F)cc3)c(-c3ccccc3)c2-c2ccccc2)cc1.[Ir].[Ir].[Ir].c1ccc(-c2ccn[n-]2)nc1.c1ccc(-c2cnn[n-]2)nc1
InChIInChI=1S/6C27H17F2N2.C8H4F3N4.C8H6N3.C7H5N4.3Ir/c6*28-22-11-15-24(16-12-22)30-19-31(25-17-13-23(29)14-18-25)27(21-9-5-2-6-10-21)26(30)20-7-3-1-4-8-20;9-8(10,11)7-13-6(14-15-7)5-3-1-2-4-12-5;1-2-5-9-7(3-1)8-4-6-10-11-8;1-2-4-8-6(3-1)7-5-9-11-10-7;;;/h6*1-17H;1-4H;1-6H;1-5H;;;/q9*-1;;;
InChIKeyJBDFRYPMOUYTNF-UHFFFAOYSA-N
XLogP38.90
TPSA198.28 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds27
Heavy Atoms226
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003523.75
LogP ≤ 538.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 2-(1,2-diaza-3-azanidacyclopenta-1,4-dien-4-yl)pyridine;hexakis(1-(4-fluorobenzene-6-id-1-yl)-3-(4-fluorophenyl)-4,5-diphenyl-2H-imidazol-3-ium-2-ide);tris(iridium);2-pyrazol-2-id-3-ylpyridine;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine with MolForge

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Related Compounds

2-[[4-[[2-(2-Fluorophenyl)imidazo[4,5-c]pyridin-5-yl]methyl]triazol-1-yl]methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 145968901
Bis(2-[4-[4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)phenyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]pyridine);bis(2-[4-[4-(1,1,2,2,3,3-hexafluoropropyl)phenyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]pyridine);bis(iron(3+));tetraisothiocyanate
CID 139142845
1-(2-Fluorobenzyl)-3-[5-(5-isopropyl-2,5-diazabicyclo[2.2.1]hept-2-yl)-2-pyrimidinyl]-1h-pyrazol[3,4-b]pyridine
CID 21983518
3-[5-(5,5-Dimethyl-2-aza-5-azoniabicyclo[2.2.1]heptan-2-yl)pyrimidin-2-yl]-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine
CID 21983545
1-[(2-Fluorophenyl)methyl]-3-[5-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)pyrimidin-2-yl]pyrazolo[5,4-b]pyridine
CID 23548203
2-[2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]-3,3a,5,6,7,7a,8,8a-octahydro-1H-pyrrolo[3,4-b]pyrrolizine
CID 23548215
2-(2,4-Difluorobenzene-6-id-1-yl)pyridine;iridium;5-(1-phenylimidazol-2-yl)-3-(trifluoromethyl)pyrazol-1-ide
CID 57668487
bis(1-(3-fluorobenzene-6-id-1-yl)-3-(3-fluorophenyl)-4,5-diphenyl-2H-imidazol-3-ium-2-ide);iridium;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 57738120
bis(1-(2,4-difluorobenzene-6-id-1-yl)-3-(2,4-difluorophenyl)-2H-benzimidazol-3-ium-2-ide);iridium;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine
CID 57738178
bis(1-(2,4-difluorobenzene-6-id-1-yl)-3-methyl-4,5-diphenyl-2H-imidazol-3-ium-2-ide);iridium;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 57738187
iridium;bis(1-(4-methylbenzene-6-id-1-yl)-3-(4-methylphenyl)-2H-benzimidazol-3-ium-2-ide);2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine
CID 57738199
bis(1-[2,4-bis(trifluoromethyl)benzene-6-id-1-yl]-3-methyl-4,5-diphenyl-2H-imidazol-3-ium-2-ide);iridium;2-pyrazol-2-id-3-ylpyridine
CID 57738264

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-diaza-3-azanidacyclopenta-1,4-dien-4-yl)pyridine;hexakis(1-(4-fluorobenzene-6-id-1-yl)-3-(4-fluorophenyl)-4,5-diphenyl-2H-imidazol-3-ium-2-ide);tris(iridium);2-pyrazol-2-id-3-ylpyridine;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine?
The IUPAC name of 2-(1,2-diaza-3-azanidacyclopenta-1,4-dien-4-yl)pyridine;hexakis(1-(4-fluorobenzene-6-id-1-yl)-3-(4-fluorophenyl)-4,5-diphenyl-2H-imidazol-3-ium-2-ide);tris(iridium);2-pyrazol-2-id-3-ylpyridine;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine (CID 158388833) is 2-(1,2-diaza-3-azanidacyclopenta-1,4-dien-4-yl)pyridine;hexakis(1-(4-fluorobenzene-6-id-1-yl)-3-(4-fluorophenyl)-4,5-diphenyl-2H-imidazol-3-ium-2-ide);tris(iridium);2-pyrazol-2-id-3-ylpyridine;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine.
What is the SMILES notation for 2-(1,2-diaza-3-azanidacyclopenta-1,4-dien-4-yl)pyridine;hexakis(1-(4-fluorobenzene-6-id-1-yl)-3-(4-fluorophenyl)-4,5-diphenyl-2H-imidazol-3-ium-2-ide);tris(iridium);2-pyrazol-2-id-3-ylpyridine;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine?
The canonical SMILES for 2-(1,2-diaza-3-azanidacyclopenta-1,4-dien-4-yl)pyridine;hexakis(1-(4-fluorobenzene-6-id-1-yl)-3-(4-fluorophenyl)-4,5-diphenyl-2H-imidazol-3-ium-2-ide);tris(iridium);2-pyrazol-2-id-3-ylpyridine;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine is FC(F)(F)c1n[n-]c(-c2ccccn2)n1.Fc1c[c-]c(-n2[c-][n+](-c3ccc(F)cc3)c(-c3ccccc3)c2-c2ccccc2)cc1.Fc1c[c-]c(-n2[c-][n+](-c3ccc(F)cc3)c(-c3ccccc3)c2-c2ccccc2)cc1.Fc1c[c-]c(-n2[c-][n+](-c3ccc(F)cc3)c(-c3ccccc3)c2-c2ccccc2)cc1.Fc1c[c-]c(-n2[c-][n+](-c3ccc(F)cc3)c(-c3ccccc3)c2-c2ccccc2)cc1.Fc1c[c-]c(-n2[c-][n+](-c3ccc(F)cc3)c(-c3ccccc3)c2-c2ccccc2)cc1.Fc1c[c-]c(-n2[c-][n+](-c3ccc(F)cc3)c(-c3ccccc3)c2-c2ccccc2)cc1.[Ir].[Ir].[Ir].c1ccc(-c2ccn[n-]2)nc1.c1ccc(-c2cnn[n-]2)nc1.
What is the InChIKey of 2-(1,2-diaza-3-azanidacyclopenta-1,4-dien-4-yl)pyridine;hexakis(1-(4-fluorobenzene-6-id-1-yl)-3-(4-fluorophenyl)-4,5-diphenyl-2H-imidazol-3-ium-2-ide);tris(iridium);2-pyrazol-2-id-3-ylpyridine;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine?
The InChIKey is JBDFRYPMOUYTNF-UHFFFAOYSA-N. The full InChI is InChI=1S/6C27H17F2N2.C8H4F3N4.C8H6N3.C7H5N4.3Ir/c6*28-22-11-15-24(16-12-22)30-19-31(25-17-13-23(29)14-18-25)27(21-9-5-2-6-10-21)26(30)20-7-3-1-4-8-20;9-8(10,11)7-13-6(14-15-7)5-3-1-2-4-12-5;1-2-5-9-7(3-1)8-4-6-10-11-8;1-2-4-8-6(3-1)7-5-9-11-10-7;;;/h6*1-17H;1-4H;1-6H;1-5H;;;/q9*-1;;;.
What are the key properties of 2-(1,2-diaza-3-azanidacyclopenta-1,4-dien-4-yl)pyridine;hexakis(1-(4-fluorobenzene-6-id-1-yl)-3-(4-fluorophenyl)-4,5-diphenyl-2H-imidazol-3-ium-2-ide);tris(iridium);2-pyrazol-2-id-3-ylpyridine;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine?
2-(1,2-diaza-3-azanidacyclopenta-1,4-dien-4-yl)pyridine;hexakis(1-(4-fluorobenzene-6-id-1-yl)-3-(4-fluorophenyl)-4,5-diphenyl-2H-imidazol-3-ium-2-ide);tris(iridium);2-pyrazol-2-id-3-ylpyridine;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine has a molecular weight of 3523.75 g/mol, XLogP of 38.90, 27 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-diaza-3-azanidacyclopenta-1,4-dien-4-yl)pyridine;hexakis(1-(4-fluorobenzene-6-id-1-yl)-3-(4-fluorophenyl)-4,5-diphenyl-2H-imidazol-3-ium-2-ide);tris(iridium);2-pyrazol-2-id-3-ylpyridine;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine is sourced from PubChem (CID 158388833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).