2-(1,2-diaza-3-azanidacyclopenta-1,4-dien-4-yl)pyridine;heptakis(1-(4-fluorobenzene-6-id-1-yl)-3-methyl-2H-imidazol-3-ium-2-ide);tetrakis(iridium);1-methyl-3-phenyl-2H-imidazol-1-ium-2-ide;2-pyrazol-2-id-3-ylpyridine;2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine

C110H85F10Ir4N31-12 — CID 157098318

IUPAC2-(1,2-diaza-3-azanidacyclopenta-1,4-dien-4-yl)pyridine;heptakis(1-(4-fluorobenzene-6-id-1-yl)-3-methyl-2H-imidazol-3-ium-2-ide);tetrakis(iridium);1-methyl-3-phenyl-2H-imidazol-1-ium-2-ide;2-pyrazol-2-id-3-ylpyridine;2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
SMILESC[n+]1[c-]n(-c2[c-]cc(F)cc2)cc1.C[n+]1[c-]n(-c2[c-]cc(F)cc2)cc1.C[n+]1[c-]n(-c2[c-]cc(F)cc2)cc1.C[n+]1[c-]n(-c2[c-]cc(F)cc2)cc1.C[n+]1[c-]n(-c2[c-]cc(F)cc2)cc1.C[n+]1[c-]n(-c2[c-]cc(F)cc2)cc1.C[n+]1[c-]n(-c2[c-]cc(F)cc2)cc1.C[n+]1[c-]n(-c2[c-]cccc2)cc1.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.[Ir].[Ir].[Ir].[Ir].c1ccc(-c2ccn[n-]2)nc1.c1ccc(-c2cnn[n-]2)nc1.c1ccc(-c2nnn[n-]2)nc1
InChIInChI=1S/7C10H8FN2.C10H9N2.C9H5F3N3.C8H6N3.C7H5N4.C6H4N5.4Ir/c7*1-12-6-7-13(8-12)10-4-2-9(11)3-5-10;1-11-7-8-12(9-11)10-5-3-2-4-6-10;10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;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;1-2-4-7-5(3-1)6-8-10-11-9-6;;;;/h7*2-4,6-7H,1H3;2-5,7-8H,1H3;1-5H;1-6H;1-5H;1-4H;;;;/q12*-1;;;;
InChIKeySMIPUTWVNSDTTA-UHFFFAOYSA-N
MW2799.95 g/mol
LogP11.79
Rot. Bonds12

About 2-(1,2-diaza-3-azanidacyclopenta-1,4-dien-4-yl)pyridine;heptakis(1-(4-fluorobenzene-6-id-1-yl)-3-methyl-2H-imidazol-3-ium-2-ide);tetrakis(iridium);1-methyl-3-phenyl-2H-imidazol-1-ium-2-ide;2-pyrazol-2-id-3-ylpyridine;2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine

2-(1,2-diaza-3-azanidacyclopenta-1,4-dien-4-yl)pyridine;heptakis(1-(4-fluorobenzene-6-id-1-yl)-3-methyl-2H-imidazol-3-ium-2-ide);tetrakis(iridium);1-methyl-3-phenyl-2H-imidazol-1-ium-2-ide;2-pyrazol-2-id-3-ylpyridine;2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine (PubChem CID 157098318) has the molecular formula C110H85F10Ir4N31-12 and a molecular weight of 2799.95 g/mol. Its IUPAC name is 2-(1,2-diaza-3-azanidacyclopenta-1,4-dien-4-yl)pyridine;heptakis(1-(4-fluorobenzene-6-id-1-yl)-3-methyl-2H-imidazol-3-ium-2-ide);tetrakis(iridium);1-methyl-3-phenyl-2H-imidazol-1-ium-2-ide;2-pyrazol-2-id-3-ylpyridine;2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine.

Molecular Properties

Compound Name2-(1,2-diaza-3-azanidacyclopenta-1,4-dien-4-yl)pyridine;heptakis(1-(4-fluorobenzene-6-id-1-yl)-3-methyl-2H-imidazol-3-ium-2-ide);tetrakis(iridium);1-methyl-3-phenyl-2H-imidazol-1-ium-2-ide;2-pyrazol-2-id-3-ylpyridine;2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
PubChem CID157098318
Molecular FormulaC110H85F10Ir4N31-12
Molecular Weight2799.95 g/mol
Exact Mass2801.60
IUPAC Name2-(1,2-diaza-3-azanidacyclopenta-1,4-dien-4-yl)pyridine;heptakis(1-(4-fluorobenzene-6-id-1-yl)-3-methyl-2H-imidazol-3-ium-2-ide);tetrakis(iridium);1-methyl-3-phenyl-2H-imidazol-1-ium-2-ide;2-pyrazol-2-id-3-ylpyridine;2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
SMILESC[n+]1[c-]n(-c2[c-]cc(F)cc2)cc1.C[n+]1[c-]n(-c2[c-]cc(F)cc2)cc1.C[n+]1[c-]n(-c2[c-]cc(F)cc2)cc1.C[n+]1[c-]n(-c2[c-]cc(F)cc2)cc1.C[n+]1[c-]n(-c2[c-]cc(F)cc2)cc1.C[n+]1[c-]n(-c2[c-]cc(F)cc2)cc1.C[n+]1[c-]n(-c2[c-]cc(F)cc2)cc1.C[n+]1[c-]n(-c2[c-]cccc2)cc1.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.[Ir].[Ir].[Ir].[Ir].c1ccc(-c2ccn[n-]2)nc1.c1ccc(-c2cnn[n-]2)nc1.c1ccc(-c2nnn[n-]2)nc1
InChIInChI=1S/7C10H8FN2.C10H9N2.C9H5F3N3.C8H6N3.C7H5N4.C6H4N5.4Ir/c7*1-12-6-7-13(8-12)10-4-2-9(11)3-5-10;1-11-7-8-12(9-11)10-5-3-2-4-6-10;10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;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;1-2-4-7-5(3-1)6-8-10-11-9-6;;;;/h7*2-4,6-7H,1H3;2-5,7-8H,1H3;1-5H;1-6H;1-5H;1-4H;;;;/q12*-1;;;;
InChIKeySMIPUTWVNSDTTA-UHFFFAOYSA-N
XLogP11.79
TPSA268.67 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds12
Heavy Atoms155
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002799.95
LogP ≤ 511.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

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;heptakis(1-(4-fluorobenzene-6-id-1-yl)-3-methyl-2H-imidazol-3-ium-2-ide);tetrakis(iridium);1-methyl-3-phenyl-2H-imidazol-1-ium-2-ide;2-pyrazol-2-id-3-ylpyridine;2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine with MolForge

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Related Compounds

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
Platinum(2+);3-(1-propan-2-ylimidazol-2-yl)-5-(trifluoromethyl)pyrazol-1-ide;2-[5-(trifluoromethyl)pyrazol-1-id-3-yl]pyridine
CID 168346600
bis(1-(2,4-difluorobenzene-6-id-1-yl)-3-methyl-2H-benzimidazol-3-ium-2-ide);iridium;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 57738245
bis(1-(2,4-difluorobenzene-6-id-1-yl)-3,4,5-trimethyl-2H-imidazol-3-ium-2-ide);iridium;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 57738705
bis(4,5-dimethyl-1-phenyl-3-phenyl-2H-imidazol-1-ium-2-ide);iridium;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 57738735
N-phenyl-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-N-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-5-[3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]-5-[3-(trifluoromethyl)pyrazol-1-yl]pyridin-2-amine;platinum(2+)
CID 57739625
Bis(3,5-dimethylpyrazol-1-ide);bis(platinum(2+));bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)
CID 57772371
Bis(3,5-dimethylpyrazol-1-ide);2-(5-methylpyrazol-2-id-3-yl)pyridine;bis(platinum(2+));2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 57772374
Bis(platinum(2+));bis(pyrazol-1-ide);bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)
CID 57772377
2-(3-Fluoropyrazol-1-id-5-yl)pyridine;bis(platinum(2+));bis(pyrazol-1-ide);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 57772380
Bis(3,5-dimethylpyrazol-1-ide);2-(3-fluoropyrazol-1-id-5-yl)pyridine;bis(platinum(2+));2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 57772381

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-diaza-3-azanidacyclopenta-1,4-dien-4-yl)pyridine;heptakis(1-(4-fluorobenzene-6-id-1-yl)-3-methyl-2H-imidazol-3-ium-2-ide);tetrakis(iridium);1-methyl-3-phenyl-2H-imidazol-1-ium-2-ide;2-pyrazol-2-id-3-ylpyridine;2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?
The IUPAC name of 2-(1,2-diaza-3-azanidacyclopenta-1,4-dien-4-yl)pyridine;heptakis(1-(4-fluorobenzene-6-id-1-yl)-3-methyl-2H-imidazol-3-ium-2-ide);tetrakis(iridium);1-methyl-3-phenyl-2H-imidazol-1-ium-2-ide;2-pyrazol-2-id-3-ylpyridine;2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine (CID 157098318) is 2-(1,2-diaza-3-azanidacyclopenta-1,4-dien-4-yl)pyridine;heptakis(1-(4-fluorobenzene-6-id-1-yl)-3-methyl-2H-imidazol-3-ium-2-ide);tetrakis(iridium);1-methyl-3-phenyl-2H-imidazol-1-ium-2-ide;2-pyrazol-2-id-3-ylpyridine;2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine.
What is the SMILES notation for 2-(1,2-diaza-3-azanidacyclopenta-1,4-dien-4-yl)pyridine;heptakis(1-(4-fluorobenzene-6-id-1-yl)-3-methyl-2H-imidazol-3-ium-2-ide);tetrakis(iridium);1-methyl-3-phenyl-2H-imidazol-1-ium-2-ide;2-pyrazol-2-id-3-ylpyridine;2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?
The canonical SMILES for 2-(1,2-diaza-3-azanidacyclopenta-1,4-dien-4-yl)pyridine;heptakis(1-(4-fluorobenzene-6-id-1-yl)-3-methyl-2H-imidazol-3-ium-2-ide);tetrakis(iridium);1-methyl-3-phenyl-2H-imidazol-1-ium-2-ide;2-pyrazol-2-id-3-ylpyridine;2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine is C[n+]1[c-]n(-c2[c-]cc(F)cc2)cc1.C[n+]1[c-]n(-c2[c-]cc(F)cc2)cc1.C[n+]1[c-]n(-c2[c-]cc(F)cc2)cc1.C[n+]1[c-]n(-c2[c-]cc(F)cc2)cc1.C[n+]1[c-]n(-c2[c-]cc(F)cc2)cc1.C[n+]1[c-]n(-c2[c-]cc(F)cc2)cc1.C[n+]1[c-]n(-c2[c-]cc(F)cc2)cc1.C[n+]1[c-]n(-c2[c-]cccc2)cc1.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.[Ir].[Ir].[Ir].[Ir].c1ccc(-c2ccn[n-]2)nc1.c1ccc(-c2cnn[n-]2)nc1.c1ccc(-c2nnn[n-]2)nc1.
What is the InChIKey of 2-(1,2-diaza-3-azanidacyclopenta-1,4-dien-4-yl)pyridine;heptakis(1-(4-fluorobenzene-6-id-1-yl)-3-methyl-2H-imidazol-3-ium-2-ide);tetrakis(iridium);1-methyl-3-phenyl-2H-imidazol-1-ium-2-ide;2-pyrazol-2-id-3-ylpyridine;2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?
The InChIKey is SMIPUTWVNSDTTA-UHFFFAOYSA-N. The full InChI is InChI=1S/7C10H8FN2.C10H9N2.C9H5F3N3.C8H6N3.C7H5N4.C6H4N5.4Ir/c7*1-12-6-7-13(8-12)10-4-2-9(11)3-5-10;1-11-7-8-12(9-11)10-5-3-2-4-6-10;10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;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;1-2-4-7-5(3-1)6-8-10-11-9-6;;;;/h7*2-4,6-7H,1H3;2-5,7-8H,1H3;1-5H;1-6H;1-5H;1-4H;;;;/q12*-1;;;;.
What are the key properties of 2-(1,2-diaza-3-azanidacyclopenta-1,4-dien-4-yl)pyridine;heptakis(1-(4-fluorobenzene-6-id-1-yl)-3-methyl-2H-imidazol-3-ium-2-ide);tetrakis(iridium);1-methyl-3-phenyl-2H-imidazol-1-ium-2-ide;2-pyrazol-2-id-3-ylpyridine;2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?
2-(1,2-diaza-3-azanidacyclopenta-1,4-dien-4-yl)pyridine;heptakis(1-(4-fluorobenzene-6-id-1-yl)-3-methyl-2H-imidazol-3-ium-2-ide);tetrakis(iridium);1-methyl-3-phenyl-2H-imidazol-1-ium-2-ide;2-pyrazol-2-id-3-ylpyridine;2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine has a molecular weight of 2799.95 g/mol, XLogP of 11.79, 12 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-diaza-3-azanidacyclopenta-1,4-dien-4-yl)pyridine;heptakis(1-(4-fluorobenzene-6-id-1-yl)-3-methyl-2H-imidazol-3-ium-2-ide);tetrakis(iridium);1-methyl-3-phenyl-2H-imidazol-1-ium-2-ide;2-pyrazol-2-id-3-ylpyridine;2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine is sourced from PubChem (CID 157098318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).