tetrakis(4-tert-butyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);tris(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);tris(iridium(3+));bis(4-methyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)

C105H84F24Ir3N21 — CID 159151843

IUPACtetrakis(4-tert-butyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);tris(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);tris(iridium(3+));bis(4-methyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)
SMILESCC(C)(C)c1ccnc(-c2cc(C(F)(F)F)n[n-]2)c1.CC(C)(C)c1ccnc(-c2cc(C(F)(F)F)n[n-]2)c1.CC(C)(C)c1ccnc(-c2cc(C(F)(F)F)n[n-]2)c1.CC(C)(C)c1ccnc(-c2cc(C(F)(F)F)n[n-]2)c1.Cc1ccnc(-c2cc(C(F)(F)F)n[n-]2)c1.Cc1ccnc(-c2cc(C(F)(F)F)n[n-]2)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.[Ir+3].[Ir+3].[Ir+3]
InChIInChI=1S/4C13H13F3N3.3C11H6F2N.2C10H7F3N3.3Ir/c4*1-12(2,3)8-4-5-17-9(6-8)10-7-11(19-18-10)13(14,15)16;3*12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;2*1-6-2-3-14-7(4-6)8-5-9(16-15-8)10(11,12)13;;;/h4*4-7H,1-3H3;3*1-4,6-7H;2*2-5H,1H3;;;/q9*-1;3*+3
InChIKeyKCJUWUNUIFBXIQ-UHFFFAOYSA-N
MW2672.58 g/mol
LogP27.00
Rot. Bonds9

About tetrakis(4-tert-butyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);tris(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);tris(iridium(3+));bis(4-methyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)

tetrakis(4-tert-butyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);tris(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);tris(iridium(3+));bis(4-methyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine) (PubChem CID 159151843) has the molecular formula C105H84F24Ir3N21 and a molecular weight of 2672.58 g/mol. Its IUPAC name is tetrakis(4-tert-butyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);tris(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);tris(iridium(3+));bis(4-methyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine).

Molecular Properties

Compound Nametetrakis(4-tert-butyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);tris(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);tris(iridium(3+));bis(4-methyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)
PubChem CID159151843
Molecular FormulaC105H84F24Ir3N21
Molecular Weight2672.58 g/mol
Exact Mass2673.57
IUPAC Nametetrakis(4-tert-butyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);tris(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);tris(iridium(3+));bis(4-methyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)
SMILESCC(C)(C)c1ccnc(-c2cc(C(F)(F)F)n[n-]2)c1.CC(C)(C)c1ccnc(-c2cc(C(F)(F)F)n[n-]2)c1.CC(C)(C)c1ccnc(-c2cc(C(F)(F)F)n[n-]2)c1.CC(C)(C)c1ccnc(-c2cc(C(F)(F)F)n[n-]2)c1.Cc1ccnc(-c2cc(C(F)(F)F)n[n-]2)c1.Cc1ccnc(-c2cc(C(F)(F)F)n[n-]2)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.[Ir+3].[Ir+3].[Ir+3]
InChIInChI=1S/4C13H13F3N3.3C11H6F2N.2C10H7F3N3.3Ir/c4*1-12(2,3)8-4-5-17-9(6-8)10-7-11(19-18-10)13(14,15)16;3*12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;2*1-6-2-3-14-7(4-6)8-5-9(16-15-8)10(11,12)13;;;/h4*4-7H,1-3H3;3*1-4,6-7H;2*2-5H,1H3;;;/q9*-1;3*+3
InChIKeyKCJUWUNUIFBXIQ-UHFFFAOYSA-N
XLogP27.00
TPSA277.95 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds9
Heavy Atoms153
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002672.58
LogP ≤ 527.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze tetrakis(4-tert-butyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);tris(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);tris(iridium(3+));bis(4-methyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine) with MolForge

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Related Compounds

4-Tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine;bis(2-(2,4-difluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine);iridium
CID 170518286
Ru(II)(bpy)2(Mebpy-cyclam-Ni(II))
CID 16683889
Ru(II)(bpy)2(Mebpy-cyclam-Zn(II))
CID 16683890
Ru(II)(bpy)2(Mebpy-cyclam-Cu(II))
CID 16683891
Ru(II)(bpy)2(Mebpy-cyclam-Fe(III)-Cl2)
CID 16683892
Ru(II)(bpy)2(Mebpy-cyclam-Co(III)-Cl2)
CID 16683893
[Ir(dF[CF3]ppy)2(dtbbpy)]PF6
CID 60160592
Bis{mu~2~-3-[3-(2-pyridyl)pyrazol-1-ylmethyl]pyridine-kappa^3^N^1^:N^2^,N^3^}disilver(I) bis(trifluoromethanesulfonate)
CID 139060498
3,5-Dimethylpyrazol-1-ide;bis(platinum(2+));propan-2-one;bis(2-pyridin-2-yl-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);hexafluorophosphate;hydrate
CID 139131683
3,5-Ditert-butylpyrazol-1-ide;hexane;bis(platinum(2+));2-pyridin-2-yl-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2-pyridin-2-yl-6-[5-(trifluoromethyl)pyrazol-1-id-3-yl]pyridine;trifluoromethanesulfonate;hydrate
CID 139131684
Hexakis[3{5}-(pyrid-2-yl)-5{3}-(tertbutyl)pyrazolido]tetrahydroxo-bis(2,2,2-trifluoroethanolato)heptacopper(II) ditetrafluoroborate bis-diethyl ether solvate
CID 139132738
Bis(platinum(2+));propan-2-one;bis(pyrazol-1-ide);bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)
CID 139141460

Frequently Asked Questions

What is the IUPAC name of tetrakis(4-tert-butyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);tris(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);tris(iridium(3+));bis(4-methyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)?
The IUPAC name of tetrakis(4-tert-butyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);tris(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);tris(iridium(3+));bis(4-methyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine) (CID 159151843) is tetrakis(4-tert-butyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);tris(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);tris(iridium(3+));bis(4-methyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine).
What is the SMILES notation for tetrakis(4-tert-butyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);tris(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);tris(iridium(3+));bis(4-methyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)?
The canonical SMILES for tetrakis(4-tert-butyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);tris(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);tris(iridium(3+));bis(4-methyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine) is CC(C)(C)c1ccnc(-c2cc(C(F)(F)F)n[n-]2)c1.CC(C)(C)c1ccnc(-c2cc(C(F)(F)F)n[n-]2)c1.CC(C)(C)c1ccnc(-c2cc(C(F)(F)F)n[n-]2)c1.CC(C)(C)c1ccnc(-c2cc(C(F)(F)F)n[n-]2)c1.Cc1ccnc(-c2cc(C(F)(F)F)n[n-]2)c1.Cc1ccnc(-c2cc(C(F)(F)F)n[n-]2)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.[Ir+3].[Ir+3].[Ir+3].
What is the InChIKey of tetrakis(4-tert-butyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);tris(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);tris(iridium(3+));bis(4-methyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)?
The InChIKey is KCJUWUNUIFBXIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/4C13H13F3N3.3C11H6F2N.2C10H7F3N3.3Ir/c4*1-12(2,3)8-4-5-17-9(6-8)10-7-11(19-18-10)13(14,15)16;3*12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;2*1-6-2-3-14-7(4-6)8-5-9(16-15-8)10(11,12)13;;;/h4*4-7H,1-3H3;3*1-4,6-7H;2*2-5H,1H3;;;/q9*-1;3*+3.
What are the key properties of tetrakis(4-tert-butyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);tris(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);tris(iridium(3+));bis(4-methyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)?
tetrakis(4-tert-butyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);tris(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);tris(iridium(3+));bis(4-methyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine) has a molecular weight of 2672.58 g/mol, XLogP of 27.00, 9 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(4-tert-butyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);tris(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);tris(iridium(3+));bis(4-methyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine) is sourced from PubChem (CID 159151843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).