2,6-bis(5-tert-butyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;bis(2-(2,4-difluoro-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine);2,6-di(phenyl)pyridine;tetrakis(iridium(3+));2-(3-phenylbenzene-2-id-1-yl)pyridine;bis(2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine)

C128H88F10Ir4N22 — CID 157146587

IUPAC2,6-bis(5-tert-butyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;bis(2-(2,4-difluoro-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine);2,6-di(phenyl)pyridine;tetrakis(iridium(3+));2-(3-phenylbenzene-2-id-1-yl)pyridine;bis(2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine)
SMILESCC(C)(C)c1n[n-]c(-c2cccc(-c3nc(C(C)(C)C)n[n-]3)n2)n1.FC(F)(F)c1cc(-c2cccc(-c3cc(C(F)(F)F)n[n-]3)n2)[n-]n1.Fc1cc(F)c(-c2ccccn2)[c-]c1-c1ccccn1.Fc1cc(F)c(-c2ccccn2)[c-]c1-c1ccccn1.[Ir+3].[Ir+3].[Ir+3].[Ir+3].[c-]1c(-c2ccccn2)cccc1-c1ccccn1.[c-]1c(-c2ccccn2)cccc1-c1ccccn1.[c-]1ccccc1-c1[c-]c(-c2ccccn2)ccc1.[c-]1ccccc1-c1cccc(-c2[c-]cccc2)n1
InChIInChI=1S/C17H21N7.2C17H11N.2C16H9F2N2.2C16H11N2.C13H5F6N5.4Ir/c1-16(2,3)14-19-12(21-23-14)10-8-7-9-11(18-10)13-20-15(24-22-13)17(4,5)6;1-3-8-14(9-4-1)16-12-7-13-17(18-16)15-10-5-2-6-11-15;1-2-7-14(8-3-1)15-9-6-10-16(13-15)17-11-4-5-12-18-17;2*17-13-10-14(18)12(16-6-2-4-8-20-16)9-11(13)15-5-1-3-7-19-15;2*1-3-10-17-15(8-1)13-6-5-7-14(12-13)16-9-2-4-11-18-16;14-12(15,16)10-4-8(21-23-10)6-2-1-3-7(20-6)9-5-11(24-22-9)13(17,18)19;;;;/h7-9H,1-6H3;1-8,10,12-13H;1-7,9-12H;2*1-8,10H;2*1-11H;1-5H;;;;/q3*-2;4*-1;-2;4*+3
InChIKeyAREDPRJCHUBIRI-UHFFFAOYSA-N
MW2893.11 g/mol
LogP28.68
Rot. Bonds16

About 2,6-bis(5-tert-butyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;bis(2-(2,4-difluoro-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine);2,6-di(phenyl)pyridine;tetrakis(iridium(3+));2-(3-phenylbenzene-2-id-1-yl)pyridine;bis(2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine)

2,6-bis(5-tert-butyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;bis(2-(2,4-difluoro-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine);2,6-di(phenyl)pyridine;tetrakis(iridium(3+));2-(3-phenylbenzene-2-id-1-yl)pyridine;bis(2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine) (PubChem CID 157146587) has the molecular formula C128H88F10Ir4N22 and a molecular weight of 2893.11 g/mol. Its IUPAC name is 2,6-bis(5-tert-butyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;bis(2-(2,4-difluoro-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine);2,6-di(phenyl)pyridine;tetrakis(iridium(3+));2-(3-phenylbenzene-2-id-1-yl)pyridine;bis(2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine).

Molecular Properties

Compound Name2,6-bis(5-tert-butyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;bis(2-(2,4-difluoro-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine);2,6-di(phenyl)pyridine;tetrakis(iridium(3+));2-(3-phenylbenzene-2-id-1-yl)pyridine;bis(2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine)
PubChem CID157146587
Molecular FormulaC128H88F10Ir4N22
Molecular Weight2893.11 g/mol
Exact Mass2894.59
IUPAC Name2,6-bis(5-tert-butyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;bis(2-(2,4-difluoro-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine);2,6-di(phenyl)pyridine;tetrakis(iridium(3+));2-(3-phenylbenzene-2-id-1-yl)pyridine;bis(2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine)
SMILESCC(C)(C)c1n[n-]c(-c2cccc(-c3nc(C(C)(C)C)n[n-]3)n2)n1.FC(F)(F)c1cc(-c2cccc(-c3cc(C(F)(F)F)n[n-]3)n2)[n-]n1.Fc1cc(F)c(-c2ccccn2)[c-]c1-c1ccccn1.Fc1cc(F)c(-c2ccccn2)[c-]c1-c1ccccn1.[Ir+3].[Ir+3].[Ir+3].[Ir+3].[c-]1c(-c2ccccn2)cccc1-c1ccccn1.[c-]1c(-c2ccccn2)cccc1-c1ccccn1.[c-]1ccccc1-c1[c-]c(-c2ccccn2)ccc1.[c-]1ccccc1-c1cccc(-c2[c-]cccc2)n1
InChIInChI=1S/C17H21N7.2C17H11N.2C16H9F2N2.2C16H11N2.C13H5F6N5.4Ir/c1-16(2,3)14-19-12(21-23-14)10-8-7-9-11(18-10)13-20-15(24-22-13)17(4,5)6;1-3-8-14(9-4-1)16-12-7-13-17(18-16)15-10-5-2-6-11-15;1-2-7-14(8-3-1)15-9-6-10-16(13-15)17-11-4-5-12-18-17;2*17-13-10-14(18)12(16-6-2-4-8-20-16)9-11(13)15-5-1-3-7-19-15;2*1-3-10-17-15(8-1)13-6-5-7-14(12-13)16-9-2-4-11-18-16;14-12(15,16)10-4-8(21-23-10)6-2-1-3-7(20-6)9-5-11(24-22-9)13(17,18)19;;;;/h7-9H,1-6H3;1-8,10,12-13H;1-7,9-12H;2*1-8,10H;2*1-11H;1-5H;;;;/q3*-2;4*-1;-2;4*+3
InChIKeyAREDPRJCHUBIRI-UHFFFAOYSA-N
XLogP28.68
TPSA288.42 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds16
Heavy Atoms164
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002893.11
LogP ≤ 528.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze 2,6-bis(5-tert-butyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;bis(2-(2,4-difluoro-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine);2,6-di(phenyl)pyridine;tetrakis(iridium(3+));2-(3-phenylbenzene-2-id-1-yl)pyridine;bis(2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
Dicopper;acetonitrile;2,6-bis[5-(trifluoromethyl)pyrazol-1-id-3-yl]pyridine;bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)
CID 139160035
Tetrakis(dimethyl(phenyl)phosphanium);bis(osmium(2+));bis(2-pyridin-2-ylpyridine);3-(trifluoromethyl)-5-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]-1,4-diaza-2-azanidacyclopenta-3,5-diene;3-(trifluoromethyl)-5-[5-(trifluoromethyl)-2,4-diaza-1-azanidacyclopenta-2,4-dien-3-yl]-1,4-diaza-2-azanidacyclopenta-3,5-diene
CID 168338209
bis(1-(4,6-dihydro-2H-pyren-2-id-1-yl)-3,4,5-trimethyl-2H-imidazol-3-ium-2-ide);iridium;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine
CID 57738656
2,6-Bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2-(2,4-difluoro-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;iridium(3+)
CID 57796219
3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-Hexadecafluorononyl)-4-phenyl-5-phenyl-1,2,4-triazole;iridium;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine
CID 58426429
CID 58510484
CID 58510484
2-[2-Methyl-4-(trifluoromethyl)pyrazol-2-ium-1-id-5-yl]pyridine;2-pyridin-2-ylpyridine;ruthenium(2+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 58510488
2-(5-Methylpyrazol-2-id-3-yl)pyridine;2-pyridin-2-ylpyridine;ruthenium(2+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 58510491
1-[(5-Fluoro-2-methylbenzene-6-id-1-yl)methyl]pyrazole;1-[[5-fluoro-2-(trifluoromethyl)benzene-6-id-1-yl]methyl]pyrazole;iridium(3+);2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine
CID 58567818
1-[(2,4-Difluorobenzene-6-id-1-yl)methyl]-2-methanidylpyrazol-2-ium;1-[(2,4-difluorobenzene-6-id-1-yl)methyl]pyrazole;iridium;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine
CID 58567821
Bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);iridium(3+);2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine
CID 58567832

Frequently Asked Questions

What is the IUPAC name of 2,6-bis(5-tert-butyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;bis(2-(2,4-difluoro-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine);2,6-di(phenyl)pyridine;tetrakis(iridium(3+));2-(3-phenylbenzene-2-id-1-yl)pyridine;bis(2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine)?
The IUPAC name of 2,6-bis(5-tert-butyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;bis(2-(2,4-difluoro-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine);2,6-di(phenyl)pyridine;tetrakis(iridium(3+));2-(3-phenylbenzene-2-id-1-yl)pyridine;bis(2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine) (CID 157146587) is 2,6-bis(5-tert-butyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;bis(2-(2,4-difluoro-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine);2,6-di(phenyl)pyridine;tetrakis(iridium(3+));2-(3-phenylbenzene-2-id-1-yl)pyridine;bis(2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine).
What is the SMILES notation for 2,6-bis(5-tert-butyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;bis(2-(2,4-difluoro-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine);2,6-di(phenyl)pyridine;tetrakis(iridium(3+));2-(3-phenylbenzene-2-id-1-yl)pyridine;bis(2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine)?
The canonical SMILES for 2,6-bis(5-tert-butyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;bis(2-(2,4-difluoro-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine);2,6-di(phenyl)pyridine;tetrakis(iridium(3+));2-(3-phenylbenzene-2-id-1-yl)pyridine;bis(2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine) is CC(C)(C)c1n[n-]c(-c2cccc(-c3nc(C(C)(C)C)n[n-]3)n2)n1.FC(F)(F)c1cc(-c2cccc(-c3cc(C(F)(F)F)n[n-]3)n2)[n-]n1.Fc1cc(F)c(-c2ccccn2)[c-]c1-c1ccccn1.Fc1cc(F)c(-c2ccccn2)[c-]c1-c1ccccn1.[Ir+3].[Ir+3].[Ir+3].[Ir+3].[c-]1c(-c2ccccn2)cccc1-c1ccccn1.[c-]1c(-c2ccccn2)cccc1-c1ccccn1.[c-]1ccccc1-c1[c-]c(-c2ccccn2)ccc1.[c-]1ccccc1-c1cccc(-c2[c-]cccc2)n1.
What is the InChIKey of 2,6-bis(5-tert-butyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;bis(2-(2,4-difluoro-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine);2,6-di(phenyl)pyridine;tetrakis(iridium(3+));2-(3-phenylbenzene-2-id-1-yl)pyridine;bis(2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine)?
The InChIKey is AREDPRJCHUBIRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7.2C17H11N.2C16H9F2N2.2C16H11N2.C13H5F6N5.4Ir/c1-16(2,3)14-19-12(21-23-14)10-8-7-9-11(18-10)13-20-15(24-22-13)17(4,5)6;1-3-8-14(9-4-1)16-12-7-13-17(18-16)15-10-5-2-6-11-15;1-2-7-14(8-3-1)15-9-6-10-16(13-15)17-11-4-5-12-18-17;2*17-13-10-14(18)12(16-6-2-4-8-20-16)9-11(13)15-5-1-3-7-19-15;2*1-3-10-17-15(8-1)13-6-5-7-14(12-13)16-9-2-4-11-18-16;14-12(15,16)10-4-8(21-23-10)6-2-1-3-7(20-6)9-5-11(24-22-9)13(17,18)19;;;;/h7-9H,1-6H3;1-8,10,12-13H;1-7,9-12H;2*1-8,10H;2*1-11H;1-5H;;;;/q3*-2;4*-1;-2;4*+3.
What are the key properties of 2,6-bis(5-tert-butyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;bis(2-(2,4-difluoro-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine);2,6-di(phenyl)pyridine;tetrakis(iridium(3+));2-(3-phenylbenzene-2-id-1-yl)pyridine;bis(2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine)?
2,6-bis(5-tert-butyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;bis(2-(2,4-difluoro-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine);2,6-di(phenyl)pyridine;tetrakis(iridium(3+));2-(3-phenylbenzene-2-id-1-yl)pyridine;bis(2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine) has a molecular weight of 2893.11 g/mol, XLogP of 28.68, 16 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(5-tert-butyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;bis(2-(2,4-difluoro-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine);2,6-di(phenyl)pyridine;tetrakis(iridium(3+));2-(3-phenylbenzene-2-id-1-yl)pyridine;bis(2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine) is sourced from PubChem (CID 157146587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).