2-[2,4-bis(trifluoromethyl)benzene-6-id-1-yl]pyridine;tetrakis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);2-(2-fluoroimidazol-3-id-4-yl)pyridine;2-(5-fluoroimidazol-3-id-4-yl)pyridine;2-imidazol-3-id-4-ylpyridine;pentakis(iridium);2-[2-(trifluoromethyl)imidazol-3-id-4-yl]pyridine;2-[5-(trifluoromethyl)imidazol-3-id-4-yl]pyridine

C99H56F22Ir5N20-10 — CID 161016923

IUPAC2-[2,4-bis(trifluoromethyl)benzene-6-id-1-yl]pyridine;tetrakis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);2-(2-fluoroimidazol-3-id-4-yl)pyridine;2-(5-fluoroimidazol-3-id-4-yl)pyridine;2-imidazol-3-id-4-ylpyridine;pentakis(iridium);2-[2-(trifluoromethyl)imidazol-3-id-4-yl]pyridine;2-[5-(trifluoromethyl)imidazol-3-id-4-yl]pyridine
SMILESFC(F)(F)c1c[c-]c(-c2ccccn2)c(C(F)(F)F)c1.FC(F)(F)c1nc[n-]c1-c1ccccn1.FC(F)(F)c1ncc(-c2ccccn2)[n-]1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1nc[n-]c1-c1ccccn1.Fc1ncc(-c2ccccn2)[n-]1.[Ir].[Ir].[Ir].[Ir].[Ir].c1ccc(-c2cnc[n-]2)nc1
InChIInChI=1S/C13H6F6N.4C11H6F2N.2C9H5F3N3.2C8H5FN3.C8H6N3.5Ir/c14-12(15,16)8-4-5-9(10(7-8)13(17,18)19)11-3-1-2-6-20-11;4*12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;10-9(11,12)8-7(14-5-15-8)6-3-1-2-4-13-6;10-9(11,12)8-14-5-7(15-8)6-3-1-2-4-13-6;9-8-7(11-5-12-8)6-3-1-2-4-10-6;9-8-11-5-7(12-8)6-3-1-2-4-10-6;1-2-4-10-7(3-1)8-5-9-6-11-8;;;;;/h1-4,6-7H;4*1-4,6-7H;2*1-5H;2*1-5H;1-6H;;;;;/q10*-1;;;;;
InChIKeyPTTYHAJTHZJURV-UHFFFAOYSA-N
MW2904.72 g/mol
LogP23.70
Rot. Bonds10

About 2-[2,4-bis(trifluoromethyl)benzene-6-id-1-yl]pyridine;tetrakis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);2-(2-fluoroimidazol-3-id-4-yl)pyridine;2-(5-fluoroimidazol-3-id-4-yl)pyridine;2-imidazol-3-id-4-ylpyridine;pentakis(iridium);2-[2-(trifluoromethyl)imidazol-3-id-4-yl]pyridine;2-[5-(trifluoromethyl)imidazol-3-id-4-yl]pyridine

2-[2,4-bis(trifluoromethyl)benzene-6-id-1-yl]pyridine;tetrakis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);2-(2-fluoroimidazol-3-id-4-yl)pyridine;2-(5-fluoroimidazol-3-id-4-yl)pyridine;2-imidazol-3-id-4-ylpyridine;pentakis(iridium);2-[2-(trifluoromethyl)imidazol-3-id-4-yl]pyridine;2-[5-(trifluoromethyl)imidazol-3-id-4-yl]pyridine (PubChem CID 161016923) has the molecular formula C99H56F22Ir5N20-10 and a molecular weight of 2904.72 g/mol. Its IUPAC name is 2-[2,4-bis(trifluoromethyl)benzene-6-id-1-yl]pyridine;tetrakis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);2-(2-fluoroimidazol-3-id-4-yl)pyridine;2-(5-fluoroimidazol-3-id-4-yl)pyridine;2-imidazol-3-id-4-ylpyridine;pentakis(iridium);2-[2-(trifluoromethyl)imidazol-3-id-4-yl]pyridine;2-[5-(trifluoromethyl)imidazol-3-id-4-yl]pyridine.

Molecular Properties

Compound Name2-[2,4-bis(trifluoromethyl)benzene-6-id-1-yl]pyridine;tetrakis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);2-(2-fluoroimidazol-3-id-4-yl)pyridine;2-(5-fluoroimidazol-3-id-4-yl)pyridine;2-imidazol-3-id-4-ylpyridine;pentakis(iridium);2-[2-(trifluoromethyl)imidazol-3-id-4-yl]pyridine;2-[5-(trifluoromethyl)imidazol-3-id-4-yl]pyridine
PubChem CID161016923
Molecular FormulaC99H56F22Ir5N20-10
Molecular Weight2904.72 g/mol
Exact Mass2907.28
IUPAC Name2-[2,4-bis(trifluoromethyl)benzene-6-id-1-yl]pyridine;tetrakis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);2-(2-fluoroimidazol-3-id-4-yl)pyridine;2-(5-fluoroimidazol-3-id-4-yl)pyridine;2-imidazol-3-id-4-ylpyridine;pentakis(iridium);2-[2-(trifluoromethyl)imidazol-3-id-4-yl]pyridine;2-[5-(trifluoromethyl)imidazol-3-id-4-yl]pyridine
SMILESFC(F)(F)c1c[c-]c(-c2ccccn2)c(C(F)(F)F)c1.FC(F)(F)c1nc[n-]c1-c1ccccn1.FC(F)(F)c1ncc(-c2ccccn2)[n-]1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1nc[n-]c1-c1ccccn1.Fc1ncc(-c2ccccn2)[n-]1.[Ir].[Ir].[Ir].[Ir].[Ir].c1ccc(-c2cnc[n-]2)nc1
InChIInChI=1S/C13H6F6N.4C11H6F2N.2C9H5F3N3.2C8H5FN3.C8H6N3.5Ir/c14-12(15,16)8-4-5-9(10(7-8)13(17,18)19)11-3-1-2-6-20-11;4*12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;10-9(11,12)8-7(14-5-15-8)6-3-1-2-4-13-6;10-9(11,12)8-14-5-7(15-8)6-3-1-2-4-13-6;9-8-7(11-5-12-8)6-3-1-2-4-10-6;9-8-11-5-7(12-8)6-3-1-2-4-10-6;1-2-4-10-7(3-1)8-5-9-6-11-8;;;;;/h1-4,6-7H;4*1-4,6-7H;2*1-5H;2*1-5H;1-6H;;;;;/q10*-1;;;;;
InChIKeyPTTYHAJTHZJURV-UHFFFAOYSA-N
XLogP23.70
TPSA263.85 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds10
Heavy Atoms146
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002904.72
LogP ≤ 523.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze 2-[2,4-bis(trifluoromethyl)benzene-6-id-1-yl]pyridine;tetrakis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);2-(2-fluoroimidazol-3-id-4-yl)pyridine;2-(5-fluoroimidazol-3-id-4-yl)pyridine;2-imidazol-3-id-4-ylpyridine;pentakis(iridium);2-[2-(trifluoromethyl)imidazol-3-id-4-yl]pyridine;2-[5-(trifluoromethyl)imidazol-3-id-4-yl]pyridine with MolForge

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Related Compounds

2-[2,4-Bis(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-(2-fluoroimidazol-3-id-4-yl)pyridine;iridium
CID 20807179
2-[1,2-Bis(trifluoromethyl)imidazol-1-ium-3-id-4-yl]pyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;iridium
CID 20807183
2-(2,4-Difluorobenzene-6-id-1-yl)pyridine;iridium;2-[2-(trifluoromethyl)imidazol-3-id-4-yl]pyridine
CID 20807212
2-(2,4-Difluorobenzene-6-id-1-yl)pyridine;iridium;2-[5-(trifluoromethyl)imidazol-3-id-4-yl]pyridine
CID 20807215
2-[4,5-Bis(trifluoromethyl)imidazol-3-id-2-yl]pyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;iridium
CID 57797063
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
Bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);iridium(3+);5-(5-pyridin-2-yl-2,4-diaza-1-azanidacyclopenta-2,4-dien-3-yl)-2-(trifluoromethyl)pyridine
CID 58771573
Bis(3,5-bis(trifluoromethyl)pyrazol-1-ide);bis(copper(1+));tetrakis(iridium);tetrakis(2-phenylpyridine);tetrakis(2-pyridin-2-ylbenzimidazol-1-ide)
CID 59010562
2-(2,4-Difluorobenzene-6-id-1-yl)pyridine;2-(2-fluoro-4-methylbenzene-6-id-1-yl)pyridine;iridium(3+);5-(5-pyridin-2-yl-2,4-diaza-1-azanidacyclopenta-2,4-dien-3-yl)-2-(trifluoromethyl)pyridine
CID 59167574
2-(2,4-Difluorobenzene-6-id-1-yl)pyridine;iridium(3+);bis(2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine)
CID 59729588
2-(2,4-Difluorobenzene-6-id-1-yl)pyridine;iridium(3+);bis(4-methyl-2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine)
CID 59729591
2-(2,4-Difluorobenzene-6-id-1-yl)-4-methylpyridine;iridium(3+);bis(2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine)
CID 59729599

Frequently Asked Questions

What is the IUPAC name of 2-[2,4-bis(trifluoromethyl)benzene-6-id-1-yl]pyridine;tetrakis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);2-(2-fluoroimidazol-3-id-4-yl)pyridine;2-(5-fluoroimidazol-3-id-4-yl)pyridine;2-imidazol-3-id-4-ylpyridine;pentakis(iridium);2-[2-(trifluoromethyl)imidazol-3-id-4-yl]pyridine;2-[5-(trifluoromethyl)imidazol-3-id-4-yl]pyridine?
The IUPAC name of 2-[2,4-bis(trifluoromethyl)benzene-6-id-1-yl]pyridine;tetrakis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);2-(2-fluoroimidazol-3-id-4-yl)pyridine;2-(5-fluoroimidazol-3-id-4-yl)pyridine;2-imidazol-3-id-4-ylpyridine;pentakis(iridium);2-[2-(trifluoromethyl)imidazol-3-id-4-yl]pyridine;2-[5-(trifluoromethyl)imidazol-3-id-4-yl]pyridine (CID 161016923) is 2-[2,4-bis(trifluoromethyl)benzene-6-id-1-yl]pyridine;tetrakis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);2-(2-fluoroimidazol-3-id-4-yl)pyridine;2-(5-fluoroimidazol-3-id-4-yl)pyridine;2-imidazol-3-id-4-ylpyridine;pentakis(iridium);2-[2-(trifluoromethyl)imidazol-3-id-4-yl]pyridine;2-[5-(trifluoromethyl)imidazol-3-id-4-yl]pyridine.
What is the SMILES notation for 2-[2,4-bis(trifluoromethyl)benzene-6-id-1-yl]pyridine;tetrakis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);2-(2-fluoroimidazol-3-id-4-yl)pyridine;2-(5-fluoroimidazol-3-id-4-yl)pyridine;2-imidazol-3-id-4-ylpyridine;pentakis(iridium);2-[2-(trifluoromethyl)imidazol-3-id-4-yl]pyridine;2-[5-(trifluoromethyl)imidazol-3-id-4-yl]pyridine?
The canonical SMILES for 2-[2,4-bis(trifluoromethyl)benzene-6-id-1-yl]pyridine;tetrakis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);2-(2-fluoroimidazol-3-id-4-yl)pyridine;2-(5-fluoroimidazol-3-id-4-yl)pyridine;2-imidazol-3-id-4-ylpyridine;pentakis(iridium);2-[2-(trifluoromethyl)imidazol-3-id-4-yl]pyridine;2-[5-(trifluoromethyl)imidazol-3-id-4-yl]pyridine is FC(F)(F)c1c[c-]c(-c2ccccn2)c(C(F)(F)F)c1.FC(F)(F)c1nc[n-]c1-c1ccccn1.FC(F)(F)c1ncc(-c2ccccn2)[n-]1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1nc[n-]c1-c1ccccn1.Fc1ncc(-c2ccccn2)[n-]1.[Ir].[Ir].[Ir].[Ir].[Ir].c1ccc(-c2cnc[n-]2)nc1.
What is the InChIKey of 2-[2,4-bis(trifluoromethyl)benzene-6-id-1-yl]pyridine;tetrakis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);2-(2-fluoroimidazol-3-id-4-yl)pyridine;2-(5-fluoroimidazol-3-id-4-yl)pyridine;2-imidazol-3-id-4-ylpyridine;pentakis(iridium);2-[2-(trifluoromethyl)imidazol-3-id-4-yl]pyridine;2-[5-(trifluoromethyl)imidazol-3-id-4-yl]pyridine?
The InChIKey is PTTYHAJTHZJURV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6F6N.4C11H6F2N.2C9H5F3N3.2C8H5FN3.C8H6N3.5Ir/c14-12(15,16)8-4-5-9(10(7-8)13(17,18)19)11-3-1-2-6-20-11;4*12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;10-9(11,12)8-7(14-5-15-8)6-3-1-2-4-13-6;10-9(11,12)8-14-5-7(15-8)6-3-1-2-4-13-6;9-8-7(11-5-12-8)6-3-1-2-4-10-6;9-8-11-5-7(12-8)6-3-1-2-4-10-6;1-2-4-10-7(3-1)8-5-9-6-11-8;;;;;/h1-4,6-7H;4*1-4,6-7H;2*1-5H;2*1-5H;1-6H;;;;;/q10*-1;;;;;.
What are the key properties of 2-[2,4-bis(trifluoromethyl)benzene-6-id-1-yl]pyridine;tetrakis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);2-(2-fluoroimidazol-3-id-4-yl)pyridine;2-(5-fluoroimidazol-3-id-4-yl)pyridine;2-imidazol-3-id-4-ylpyridine;pentakis(iridium);2-[2-(trifluoromethyl)imidazol-3-id-4-yl]pyridine;2-[5-(trifluoromethyl)imidazol-3-id-4-yl]pyridine?
2-[2,4-bis(trifluoromethyl)benzene-6-id-1-yl]pyridine;tetrakis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);2-(2-fluoroimidazol-3-id-4-yl)pyridine;2-(5-fluoroimidazol-3-id-4-yl)pyridine;2-imidazol-3-id-4-ylpyridine;pentakis(iridium);2-[2-(trifluoromethyl)imidazol-3-id-4-yl]pyridine;2-[5-(trifluoromethyl)imidazol-3-id-4-yl]pyridine has a molecular weight of 2904.72 g/mol, XLogP of 23.70, 10 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,4-bis(trifluoromethyl)benzene-6-id-1-yl]pyridine;tetrakis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);2-(2-fluoroimidazol-3-id-4-yl)pyridine;2-(5-fluoroimidazol-3-id-4-yl)pyridine;2-imidazol-3-id-4-ylpyridine;pentakis(iridium);2-[2-(trifluoromethyl)imidazol-3-id-4-yl]pyridine;2-[5-(trifluoromethyl)imidazol-3-id-4-yl]pyridine is sourced from PubChem (CID 161016923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).