tris(2,6-bis(2-phenylpropan-2-yl)pyridine);1-(2,4-difluoro-5-pyrazol-1-ylbenzene-6-id-1-yl)pyrazole;2-(4,5-dimethylpyrazol-2-id-3-yl)-6-[4-methyl-3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tetrakis(iridium(3+));2-phenyl-1,10-phenanthroline;bis(1-(3-pyrazol-1-ylbenzene-2-id-1-yl)pyrazole)

C138H117F5Ir4N22 — CID 157377811

IUPACtris(2,6-bis(2-phenylpropan-2-yl)pyridine);1-(2,4-difluoro-5-pyrazol-1-ylbenzene-6-id-1-yl)pyrazole;2-(4,5-dimethylpyrazol-2-id-3-yl)-6-[4-methyl-3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tetrakis(iridium(3+));2-phenyl-1,10-phenanthroline;bis(1-(3-pyrazol-1-ylbenzene-2-id-1-yl)pyrazole)
SMILESCC(C)(c1[c-]cccc1)c1cccc(C(C)(C)c2[c-]cccc2)n1.CC(C)(c1[c-]cccc1)c1cccc(C(C)(C)c2[c-]cccc2)n1.CC(C)(c1[c-]cccc1)c1cccc(C(C)(C)c2[c-]cccc2)n1.Cc1n[n-]c(-c2cccc(-c3[n-]nc(C(F)(F)F)c3C)n2)c1C.Fc1cc(F)c(-n2cccn2)[c-]c1-n1cccn1.[Ir+3].[Ir+3].[Ir+3].[Ir+3].[c-]1c(-n2cccn2)cccc1-n1cccn1.[c-]1c(-n2cccn2)cccc1-n1cccn1.[c-]1ccccc1-c1ccc2ccc3cccnc3c2n1
InChIInChI=1S/3C23H23N.C18H11N2.C15H12F3N5.C12H7F2N4.2C12H9N4.4Ir/c3*1-22(2,18-12-7-5-8-13-18)20-16-11-17-21(24-20)23(3,4)19-14-9-6-10-15-19;1-2-5-13(6-3-1)16-11-10-15-9-8-14-7-4-12-19-17(14)18(15)20-16;1-7-9(3)20-21-12(7)10-5-4-6-11(19-10)13-8(2)14(23-22-13)15(16,17)18;13-9-7-10(14)12(18-6-2-4-16-18)8-11(9)17-5-1-3-15-17;2*1-4-11(15-8-2-6-13-15)10-12(5-1)16-9-3-7-14-16;;;;/h3*5-12,14,16-17H,1-4H3;1-5,7-12H;4-6H,1-3H3;1-7H;2*1-9H;;;;/q3*-2;-1;-2;3*-1;4*+3
InChIKeyGIHWZOPVCMSWDI-UHFFFAOYSA-N
MW2947.47 g/mol
LogP29.16
Rot. Bonds21

About tris(2,6-bis(2-phenylpropan-2-yl)pyridine);1-(2,4-difluoro-5-pyrazol-1-ylbenzene-6-id-1-yl)pyrazole;2-(4,5-dimethylpyrazol-2-id-3-yl)-6-[4-methyl-3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tetrakis(iridium(3+));2-phenyl-1,10-phenanthroline;bis(1-(3-pyrazol-1-ylbenzene-2-id-1-yl)pyrazole)

tris(2,6-bis(2-phenylpropan-2-yl)pyridine);1-(2,4-difluoro-5-pyrazol-1-ylbenzene-6-id-1-yl)pyrazole;2-(4,5-dimethylpyrazol-2-id-3-yl)-6-[4-methyl-3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tetrakis(iridium(3+));2-phenyl-1,10-phenanthroline;bis(1-(3-pyrazol-1-ylbenzene-2-id-1-yl)pyrazole) (PubChem CID 157377811) has the molecular formula C138H117F5Ir4N22 and a molecular weight of 2947.47 g/mol. Its IUPAC name is tris(2,6-bis(2-phenylpropan-2-yl)pyridine);1-(2,4-difluoro-5-pyrazol-1-ylbenzene-6-id-1-yl)pyrazole;2-(4,5-dimethylpyrazol-2-id-3-yl)-6-[4-methyl-3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tetrakis(iridium(3+));2-phenyl-1,10-phenanthroline;bis(1-(3-pyrazol-1-ylbenzene-2-id-1-yl)pyrazole).

Molecular Properties

Compound Nametris(2,6-bis(2-phenylpropan-2-yl)pyridine);1-(2,4-difluoro-5-pyrazol-1-ylbenzene-6-id-1-yl)pyrazole;2-(4,5-dimethylpyrazol-2-id-3-yl)-6-[4-methyl-3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tetrakis(iridium(3+));2-phenyl-1,10-phenanthroline;bis(1-(3-pyrazol-1-ylbenzene-2-id-1-yl)pyrazole)
PubChem CID157377811
Molecular FormulaC138H117F5Ir4N22
Molecular Weight2947.47 g/mol
Exact Mass2948.83
IUPAC Nametris(2,6-bis(2-phenylpropan-2-yl)pyridine);1-(2,4-difluoro-5-pyrazol-1-ylbenzene-6-id-1-yl)pyrazole;2-(4,5-dimethylpyrazol-2-id-3-yl)-6-[4-methyl-3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tetrakis(iridium(3+));2-phenyl-1,10-phenanthroline;bis(1-(3-pyrazol-1-ylbenzene-2-id-1-yl)pyrazole)
SMILESCC(C)(c1[c-]cccc1)c1cccc(C(C)(C)c2[c-]cccc2)n1.CC(C)(c1[c-]cccc1)c1cccc(C(C)(C)c2[c-]cccc2)n1.CC(C)(c1[c-]cccc1)c1cccc(C(C)(C)c2[c-]cccc2)n1.Cc1n[n-]c(-c2cccc(-c3[n-]nc(C(F)(F)F)c3C)n2)c1C.Fc1cc(F)c(-n2cccn2)[c-]c1-n1cccn1.[Ir+3].[Ir+3].[Ir+3].[Ir+3].[c-]1c(-n2cccn2)cccc1-n1cccn1.[c-]1c(-n2cccn2)cccc1-n1cccn1.[c-]1ccccc1-c1ccc2ccc3cccnc3c2n1
InChIInChI=1S/3C23H23N.C18H11N2.C15H12F3N5.C12H7F2N4.2C12H9N4.4Ir/c3*1-22(2,18-12-7-5-8-13-18)20-16-11-17-21(24-20)23(3,4)19-14-9-6-10-15-19;1-2-5-13(6-3-1)16-11-10-15-9-8-14-7-4-12-19-17(14)18(15)20-16;1-7-9(3)20-21-12(7)10-5-4-6-11(19-10)13-8(2)14(23-22-13)15(16,17)18;13-9-7-10(14)12(18-6-2-4-16-18)8-11(9)17-5-1-3-15-17;2*1-4-11(15-8-2-6-13-15)10-12(5-1)16-9-3-7-14-16;;;;/h3*5-12,14,16-17H,1-4H3;1-5,7-12H;4-6H,1-3H3;1-7H;2*1-9H;;;;/q3*-2;-1;-2;3*-1;4*+3
InChIKeyGIHWZOPVCMSWDI-UHFFFAOYSA-N
XLogP29.16
TPSA238.24 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds21
Heavy Atoms169
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002947.47
LogP ≤ 529.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze tris(2,6-bis(2-phenylpropan-2-yl)pyridine);1-(2,4-difluoro-5-pyrazol-1-ylbenzene-6-id-1-yl)pyrazole;2-(4,5-dimethylpyrazol-2-id-3-yl)-6-[4-methyl-3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tetrakis(iridium(3+));2-phenyl-1,10-phenanthroline;bis(1-(3-pyrazol-1-ylbenzene-2-id-1-yl)pyrazole) 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

Tetrakis(2,2'-Bipyridine-Kappa~2~n~1~,N~1'~)(Mu-Tetrapyrido[3,2-A:2',3'-C:3'',2''-H:2''',3'''-J]phenazine-1kappa~2~n~4~,N~5~:2kappa~2~n~13~,N~14~)diruthenium(4+) L Enantiomer
CID 71737795
Tetrasilver;tetrakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);bis(2,9-dimethyl-1,10-phenanthroline)
CID 168342723
Tetrasilver;tetrakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);1,10-phenanthroline
CID 168342725
Tetrasilver;tetrakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);bis(1,10-phenanthroline)
CID 168349954
[Eu(BTrzPhen)2](OTf)3
CID 168350642
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
3-Methylpyrazol-1-ide;1,10-phenanthroline;platinum(2+);3-(trifluoromethyl)pyrazol-1-ide
CID 58711213
Bis(3,5-bis(trifluoromethyl)pyrazol-1-ide);bis(copper(1+));bis(iridium);bis(1-phenylisoquinoline);bis(2-phenylpyrazine)
CID 59010556
3-Tert-butyl-1-[3-(3-tert-butylindol-1-yl)-5-[4-[2-(2,4-difluorobenzene-6-id-1-yl)-4-pyridinyl]hexan-2-yl]phenyl]indole;iridium;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 59227898
2-Tert-butyl-1-[3-(2-tert-butylindol-1-yl)-5-[4-[2-(2,4-difluorobenzene-6-id-1-yl)-4-pyridinyl]hexan-2-yl]phenyl]indole;iridium;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 59236781
2-(2,4-Difluorobenzene-6-id-1-yl)pyridine;iridium(3+);bis(4-methyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)
CID 59729586

Frequently Asked Questions

What is the IUPAC name of tris(2,6-bis(2-phenylpropan-2-yl)pyridine);1-(2,4-difluoro-5-pyrazol-1-ylbenzene-6-id-1-yl)pyrazole;2-(4,5-dimethylpyrazol-2-id-3-yl)-6-[4-methyl-3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tetrakis(iridium(3+));2-phenyl-1,10-phenanthroline;bis(1-(3-pyrazol-1-ylbenzene-2-id-1-yl)pyrazole)?
The IUPAC name of tris(2,6-bis(2-phenylpropan-2-yl)pyridine);1-(2,4-difluoro-5-pyrazol-1-ylbenzene-6-id-1-yl)pyrazole;2-(4,5-dimethylpyrazol-2-id-3-yl)-6-[4-methyl-3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tetrakis(iridium(3+));2-phenyl-1,10-phenanthroline;bis(1-(3-pyrazol-1-ylbenzene-2-id-1-yl)pyrazole) (CID 157377811) is tris(2,6-bis(2-phenylpropan-2-yl)pyridine);1-(2,4-difluoro-5-pyrazol-1-ylbenzene-6-id-1-yl)pyrazole;2-(4,5-dimethylpyrazol-2-id-3-yl)-6-[4-methyl-3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tetrakis(iridium(3+));2-phenyl-1,10-phenanthroline;bis(1-(3-pyrazol-1-ylbenzene-2-id-1-yl)pyrazole).
What is the SMILES notation for tris(2,6-bis(2-phenylpropan-2-yl)pyridine);1-(2,4-difluoro-5-pyrazol-1-ylbenzene-6-id-1-yl)pyrazole;2-(4,5-dimethylpyrazol-2-id-3-yl)-6-[4-methyl-3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tetrakis(iridium(3+));2-phenyl-1,10-phenanthroline;bis(1-(3-pyrazol-1-ylbenzene-2-id-1-yl)pyrazole)?
The canonical SMILES for tris(2,6-bis(2-phenylpropan-2-yl)pyridine);1-(2,4-difluoro-5-pyrazol-1-ylbenzene-6-id-1-yl)pyrazole;2-(4,5-dimethylpyrazol-2-id-3-yl)-6-[4-methyl-3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tetrakis(iridium(3+));2-phenyl-1,10-phenanthroline;bis(1-(3-pyrazol-1-ylbenzene-2-id-1-yl)pyrazole) is CC(C)(c1[c-]cccc1)c1cccc(C(C)(C)c2[c-]cccc2)n1.CC(C)(c1[c-]cccc1)c1cccc(C(C)(C)c2[c-]cccc2)n1.CC(C)(c1[c-]cccc1)c1cccc(C(C)(C)c2[c-]cccc2)n1.Cc1n[n-]c(-c2cccc(-c3[n-]nc(C(F)(F)F)c3C)n2)c1C.Fc1cc(F)c(-n2cccn2)[c-]c1-n1cccn1.[Ir+3].[Ir+3].[Ir+3].[Ir+3].[c-]1c(-n2cccn2)cccc1-n1cccn1.[c-]1c(-n2cccn2)cccc1-n1cccn1.[c-]1ccccc1-c1ccc2ccc3cccnc3c2n1.
What is the InChIKey of tris(2,6-bis(2-phenylpropan-2-yl)pyridine);1-(2,4-difluoro-5-pyrazol-1-ylbenzene-6-id-1-yl)pyrazole;2-(4,5-dimethylpyrazol-2-id-3-yl)-6-[4-methyl-3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tetrakis(iridium(3+));2-phenyl-1,10-phenanthroline;bis(1-(3-pyrazol-1-ylbenzene-2-id-1-yl)pyrazole)?
The InChIKey is GIHWZOPVCMSWDI-UHFFFAOYSA-N. The full InChI is InChI=1S/3C23H23N.C18H11N2.C15H12F3N5.C12H7F2N4.2C12H9N4.4Ir/c3*1-22(2,18-12-7-5-8-13-18)20-16-11-17-21(24-20)23(3,4)19-14-9-6-10-15-19;1-2-5-13(6-3-1)16-11-10-15-9-8-14-7-4-12-19-17(14)18(15)20-16;1-7-9(3)20-21-12(7)10-5-4-6-11(19-10)13-8(2)14(23-22-13)15(16,17)18;13-9-7-10(14)12(18-6-2-4-16-18)8-11(9)17-5-1-3-15-17;2*1-4-11(15-8-2-6-13-15)10-12(5-1)16-9-3-7-14-16;;;;/h3*5-12,14,16-17H,1-4H3;1-5,7-12H;4-6H,1-3H3;1-7H;2*1-9H;;;;/q3*-2;-1;-2;3*-1;4*+3.
What are the key properties of tris(2,6-bis(2-phenylpropan-2-yl)pyridine);1-(2,4-difluoro-5-pyrazol-1-ylbenzene-6-id-1-yl)pyrazole;2-(4,5-dimethylpyrazol-2-id-3-yl)-6-[4-methyl-3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tetrakis(iridium(3+));2-phenyl-1,10-phenanthroline;bis(1-(3-pyrazol-1-ylbenzene-2-id-1-yl)pyrazole)?
tris(2,6-bis(2-phenylpropan-2-yl)pyridine);1-(2,4-difluoro-5-pyrazol-1-ylbenzene-6-id-1-yl)pyrazole;2-(4,5-dimethylpyrazol-2-id-3-yl)-6-[4-methyl-3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tetrakis(iridium(3+));2-phenyl-1,10-phenanthroline;bis(1-(3-pyrazol-1-ylbenzene-2-id-1-yl)pyrazole) has a molecular weight of 2947.47 g/mol, XLogP of 29.16, 21 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2,6-bis(2-phenylpropan-2-yl)pyridine);1-(2,4-difluoro-5-pyrazol-1-ylbenzene-6-id-1-yl)pyrazole;2-(4,5-dimethylpyrazol-2-id-3-yl)-6-[4-methyl-3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tetrakis(iridium(3+));2-phenyl-1,10-phenanthroline;bis(1-(3-pyrazol-1-ylbenzene-2-id-1-yl)pyrazole) is sourced from PubChem (CID 157377811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).