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

C197H153F3Ir3N23O12-9 — CID 157291966

IUPAC2-(1,2-diaza-3-azanidacyclopenta-1,4-dien-4-yl)pyridine;tris(iridium);hexakis(1-(3-methoxybenzene-6-id-1-yl)-3-(3-methoxyphenyl)-4,5-diphenyl-2H-imidazol-3-ium-2-ide);2-pyrazol-2-id-3-ylpyridine;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine
SMILESCOc1cc[c-]c(-n2[c-][n+](-c3cccc(OC)c3)c(-c3ccccc3)c2-c2ccccc2)c1.COc1cc[c-]c(-n2[c-][n+](-c3cccc(OC)c3)c(-c3ccccc3)c2-c2ccccc2)c1.COc1cc[c-]c(-n2[c-][n+](-c3cccc(OC)c3)c(-c3ccccc3)c2-c2ccccc2)c1.COc1cc[c-]c(-n2[c-][n+](-c3cccc(OC)c3)c(-c3ccccc3)c2-c2ccccc2)c1.COc1cc[c-]c(-n2[c-][n+](-c3cccc(OC)c3)c(-c3ccccc3)c2-c2ccccc2)c1.COc1cc[c-]c(-n2[c-][n+](-c3cccc(OC)c3)c(-c3ccccc3)c2-c2ccccc2)c1.FC(F)(F)c1n[n-]c(-c2ccccn2)n1.[Ir].[Ir].[Ir].c1ccc(-c2ccn[n-]2)nc1.c1ccc(-c2cnn[n-]2)nc1
InChIInChI=1S/6C29H23N2O2.C8H4F3N4.C8H6N3.C7H5N4.3Ir/c6*1-32-26-17-9-15-24(19-26)30-21-31(25-16-10-18-27(20-25)33-2)29(23-13-7-4-8-14-23)28(30)22-11-5-3-6-12-22;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*3-15,17-20H,1-2H3;1-4H;1-6H;1-5H;;;/q9*-1;;;
InChIKeyHYYKAEXPNZUDLX-UHFFFAOYSA-N
MW3668.18 g/mol
LogP37.34
Rot. Bonds39

About 2-(1,2-diaza-3-azanidacyclopenta-1,4-dien-4-yl)pyridine;tris(iridium);hexakis(1-(3-methoxybenzene-6-id-1-yl)-3-(3-methoxyphenyl)-4,5-diphenyl-2H-imidazol-3-ium-2-ide);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;tris(iridium);hexakis(1-(3-methoxybenzene-6-id-1-yl)-3-(3-methoxyphenyl)-4,5-diphenyl-2H-imidazol-3-ium-2-ide);2-pyrazol-2-id-3-ylpyridine;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine (PubChem CID 157291966) has the molecular formula C197H153F3Ir3N23O12-9 and a molecular weight of 3668.18 g/mol. Its IUPAC name is 2-(1,2-diaza-3-azanidacyclopenta-1,4-dien-4-yl)pyridine;tris(iridium);hexakis(1-(3-methoxybenzene-6-id-1-yl)-3-(3-methoxyphenyl)-4,5-diphenyl-2H-imidazol-3-ium-2-ide);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;tris(iridium);hexakis(1-(3-methoxybenzene-6-id-1-yl)-3-(3-methoxyphenyl)-4,5-diphenyl-2H-imidazol-3-ium-2-ide);2-pyrazol-2-id-3-ylpyridine;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine
PubChem CID157291966
Molecular FormulaC197H153F3Ir3N23O12-9
Molecular Weight3668.18 g/mol
Exact Mass3668.10
IUPAC Name2-(1,2-diaza-3-azanidacyclopenta-1,4-dien-4-yl)pyridine;tris(iridium);hexakis(1-(3-methoxybenzene-6-id-1-yl)-3-(3-methoxyphenyl)-4,5-diphenyl-2H-imidazol-3-ium-2-ide);2-pyrazol-2-id-3-ylpyridine;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine
SMILESCOc1cc[c-]c(-n2[c-][n+](-c3cccc(OC)c3)c(-c3ccccc3)c2-c2ccccc2)c1.COc1cc[c-]c(-n2[c-][n+](-c3cccc(OC)c3)c(-c3ccccc3)c2-c2ccccc2)c1.COc1cc[c-]c(-n2[c-][n+](-c3cccc(OC)c3)c(-c3ccccc3)c2-c2ccccc2)c1.COc1cc[c-]c(-n2[c-][n+](-c3cccc(OC)c3)c(-c3ccccc3)c2-c2ccccc2)c1.COc1cc[c-]c(-n2[c-][n+](-c3cccc(OC)c3)c(-c3ccccc3)c2-c2ccccc2)c1.COc1cc[c-]c(-n2[c-][n+](-c3cccc(OC)c3)c(-c3ccccc3)c2-c2ccccc2)c1.FC(F)(F)c1n[n-]c(-c2ccccn2)n1.[Ir].[Ir].[Ir].c1ccc(-c2ccn[n-]2)nc1.c1ccc(-c2cnn[n-]2)nc1
InChIInChI=1S/6C29H23N2O2.C8H4F3N4.C8H6N3.C7H5N4.3Ir/c6*1-32-26-17-9-15-24(19-26)30-21-31(25-16-10-18-27(20-25)33-2)29(23-13-7-4-8-14-23)28(30)22-11-5-3-6-12-22;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*3-15,17-20H,1-2H3;1-4H;1-6H;1-5H;;;/q9*-1;;;
InChIKeyHYYKAEXPNZUDLX-UHFFFAOYSA-N
XLogP37.34
TPSA309.04 Ų
H-Bond Donors
H-Bond Acceptors26
Rotatable Bonds39
Heavy Atoms238
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003668.18
LogP ≤ 537.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1026

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;tris(iridium);hexakis(1-(3-methoxybenzene-6-id-1-yl)-3-(3-methoxyphenyl)-4,5-diphenyl-2H-imidazol-3-ium-2-ide);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

iridium;bis(1-(3-methoxybenzene-6-id-1-yl)-3-(3-methoxyphenyl)-4,5-diphenyl-2H-imidazol-3-ium-2-ide);2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine
CID 57738068
iridium;bis(1-(4-methoxybenzene-6-id-1-yl)-3-(4-methoxyphenyl)-4,5-diphenyl-2H-imidazol-3-ium-2-ide);2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine
CID 57738453
iridium;bis(1-(3-methoxybenzene-6-id-1-yl)-3-(3-methoxyphenyl)-4,5-diphenyl-2H-imidazol-3-ium-2-ide);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 57738497
iridium;bis(1-(3-methoxybenzene-6-id-1-yl)-3-(3-methoxyphenyl)-4,5-dimethyl-2H-imidazol-3-ium-2-ide);2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine
CID 57738732
iridium;bis(1-(3-methoxybenzene-6-id-1-yl)-3-(3-methoxyphenyl)-2H-imidazol-3-ium-2-ide);2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine
CID 57738733
8-(4-fluorophenyl)-N-[8-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyrazin-2-amine
CID 67378954
1-[8-(4-Fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1,2-bis[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-2-(5-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)hydrazine
CID 123142615
1-[4-[3-Amino-7-[4-[[4-[3-amino-7-[4-[[4-(3-aminotriazolo[1,5-a]pyridin-4-yl)phenyl]carbamoylamino]-3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]phenyl]carbamoylamino]phenyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]phenyl]-3-(3-methoxyphenyl)urea
CID 123739525
4-[2-(4-tert-butylbenzene-6-id-1-yl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidin-4-yl]-N,N-bis(4-tert-butylphenyl)aniline;[(E)-2-[2-[4-formyloxy-6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;ruthenium(2+)
CID 153445592
N-(3,5-difluorophenyl)-8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(3,5-difluorophenyl)-8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(3-fluorophenyl)-8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;8-(3-methoxyphenyl)-N-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;8-(3-methoxyphenyl)-N-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;8-(3-methoxyphenyl)-N-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 157068880
1-Benzyl-3-(2-ethoxy-4-fluorobenzene-6-id-1-yl)pyrazole;tris(3-(2-ethoxy-4-fluorobenzene-6-id-1-yl)-1-ethylpyrazole);bis(3-(2-ethoxy-4-fluorobenzene-6-id-1-yl)-1-methylpyrazole);bis(iridium);bis(iridium(3+));3-(1-methylimidazol-2-yl)-5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-diene;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)
CID 157071130
2,6-difluoro-3-[6-[2-(1-phenylpyrazol-3-yl)propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;2-(2,6-difluoro-4H-pyridin-4-id-3-yl)-6-[2-[1-[3-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]propan-2-yl]pyrazine;2,6-difluoro-3-[6-[2-[1-[3-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;2,6-dimethyl-3-[6-[2-(1-phenyl-1,2,4-triazol-3-yl)propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;4-[3-[2-[6-(2,6-dimethyl-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-4-(trifluoromethyl)pyrazol-1-yl]benzene-5-ide-1-carbonitrile;3-[6-[2-[1-(3-methylbenzene-6-id-1-yl)pyrazol-3-yl]propan-2-yl]-2-pyridinyl]-2,6-diphenoxy-4H-pyridin-4-ide;hexakis(platinum(2+))
CID 157084948

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-diaza-3-azanidacyclopenta-1,4-dien-4-yl)pyridine;tris(iridium);hexakis(1-(3-methoxybenzene-6-id-1-yl)-3-(3-methoxyphenyl)-4,5-diphenyl-2H-imidazol-3-ium-2-ide);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;tris(iridium);hexakis(1-(3-methoxybenzene-6-id-1-yl)-3-(3-methoxyphenyl)-4,5-diphenyl-2H-imidazol-3-ium-2-ide);2-pyrazol-2-id-3-ylpyridine;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine (CID 157291966) is 2-(1,2-diaza-3-azanidacyclopenta-1,4-dien-4-yl)pyridine;tris(iridium);hexakis(1-(3-methoxybenzene-6-id-1-yl)-3-(3-methoxyphenyl)-4,5-diphenyl-2H-imidazol-3-ium-2-ide);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;tris(iridium);hexakis(1-(3-methoxybenzene-6-id-1-yl)-3-(3-methoxyphenyl)-4,5-diphenyl-2H-imidazol-3-ium-2-ide);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;tris(iridium);hexakis(1-(3-methoxybenzene-6-id-1-yl)-3-(3-methoxyphenyl)-4,5-diphenyl-2H-imidazol-3-ium-2-ide);2-pyrazol-2-id-3-ylpyridine;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine is COc1cc[c-]c(-n2[c-][n+](-c3cccc(OC)c3)c(-c3ccccc3)c2-c2ccccc2)c1.COc1cc[c-]c(-n2[c-][n+](-c3cccc(OC)c3)c(-c3ccccc3)c2-c2ccccc2)c1.COc1cc[c-]c(-n2[c-][n+](-c3cccc(OC)c3)c(-c3ccccc3)c2-c2ccccc2)c1.COc1cc[c-]c(-n2[c-][n+](-c3cccc(OC)c3)c(-c3ccccc3)c2-c2ccccc2)c1.COc1cc[c-]c(-n2[c-][n+](-c3cccc(OC)c3)c(-c3ccccc3)c2-c2ccccc2)c1.COc1cc[c-]c(-n2[c-][n+](-c3cccc(OC)c3)c(-c3ccccc3)c2-c2ccccc2)c1.FC(F)(F)c1n[n-]c(-c2ccccn2)n1.[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;tris(iridium);hexakis(1-(3-methoxybenzene-6-id-1-yl)-3-(3-methoxyphenyl)-4,5-diphenyl-2H-imidazol-3-ium-2-ide);2-pyrazol-2-id-3-ylpyridine;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine?
The InChIKey is HYYKAEXPNZUDLX-UHFFFAOYSA-N. The full InChI is InChI=1S/6C29H23N2O2.C8H4F3N4.C8H6N3.C7H5N4.3Ir/c6*1-32-26-17-9-15-24(19-26)30-21-31(25-16-10-18-27(20-25)33-2)29(23-13-7-4-8-14-23)28(30)22-11-5-3-6-12-22;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*3-15,17-20H,1-2H3;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;tris(iridium);hexakis(1-(3-methoxybenzene-6-id-1-yl)-3-(3-methoxyphenyl)-4,5-diphenyl-2H-imidazol-3-ium-2-ide);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;tris(iridium);hexakis(1-(3-methoxybenzene-6-id-1-yl)-3-(3-methoxyphenyl)-4,5-diphenyl-2H-imidazol-3-ium-2-ide);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 3668.18 g/mol, XLogP of 37.34, 39 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-diaza-3-azanidacyclopenta-1,4-dien-4-yl)pyridine;tris(iridium);hexakis(1-(3-methoxybenzene-6-id-1-yl)-3-(3-methoxyphenyl)-4,5-diphenyl-2H-imidazol-3-ium-2-ide);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 157291966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).