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;1-(3-pyrazol-1-ylbenzene-2-id-1-yl)pyrazole;2-[2-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]propan-2-yl]pyridine

C148H131F5Ir4N20 — CID 157774219

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;1-(3-pyrazol-1-ylbenzene-2-id-1-yl)pyrazole;2-[2-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]propan-2-yl]pyridine
SMILESCC1=C([N-]N=C1C)C2=NC(=CC=C2)C3=C(C(=N[N-]3)C(F)(F)F)C.CC(C)(C1=[C-]C(=CC=C1)C(C)(C)C2=CC=CC=N2)C3=CC=CC=N3.CC(C)(C1=NC(=CC=C1)C(C)(C)C2=CC=CC=[C-]2)C3=CC=CC=[C-]3.CC(C)(C1=NC(=CC=C1)C(C)(C)C2=CC=CC=[C-]2)C3=CC=CC=[C-]3.CC(C)(C1=NC(=CC=C1)C(C)(C)C2=CC=CC=[C-]2)C3=CC=CC=[C-]3.C1=CC=C([C-]=C1)C2=NC3=C(C=CC4=C3N=CC=C4)C=C2.C1=CC(=[C-]C(=C1)N2C=CC=N2)N3C=CC=N3.C1=CN(N=C1)C2=[C-]C(=C(C=C2F)F)N3C=CC=N3.[Ir+3].[Ir+3].[Ir+3].[Ir+3]
InChIInChI=1S/3C23H23N.C22H23N2.C18H11N2.C15H12F3N5.C12H7F2N4.C12H9N4.4Ir/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;1-21(2,19-12-5-7-14-23-19)17-10-9-11-18(16-17)22(3,4)20-13-6-8-15-24-20;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;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;5-15H,1-4H3;1-5,7-12H;4-6H,1-3H3;1-7H;1-9H;;;;/q3*-2;2*-1;-2;2*-1;4*+3
InChIKeyYZZPEQPDHRITAP-UHFFFAOYSA-N
MW3053.60 g/mol
LogP—
Rot. Bonds

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;1-(3-pyrazol-1-ylbenzene-2-id-1-yl)pyrazole;2-[2-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]propan-2-yl]pyridine

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;1-(3-pyrazol-1-ylbenzene-2-id-1-yl)pyrazole;2-[2-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]propan-2-yl]pyridine (PubChem CID 157774219) has the molecular formula C148H131F5Ir4N20 and a molecular weight of 3053.60 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;1-(3-pyrazol-1-ylbenzene-2-id-1-yl)pyrazole;2-[2-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]propan-2-yl]pyridine.

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;1-(3-pyrazol-1-ylbenzene-2-id-1-yl)pyrazole;2-[2-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]propan-2-yl]pyridine
PubChem CID157774219
Molecular FormulaC148H131F5Ir4N20
Molecular Weight3053.60 g/mol
Exact Mass3053.93
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;1-(3-pyrazol-1-ylbenzene-2-id-1-yl)pyrazole;2-[2-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]propan-2-yl]pyridine
SMILESCC1=C([N-]N=C1C)C2=NC(=CC=C2)C3=C(C(=N[N-]3)C(F)(F)F)C.CC(C)(C1=[C-]C(=CC=C1)C(C)(C)C2=CC=CC=N2)C3=CC=CC=N3.CC(C)(C1=NC(=CC=C1)C(C)(C)C2=CC=CC=[C-]2)C3=CC=CC=[C-]3.CC(C)(C1=NC(=CC=C1)C(C)(C)C2=CC=CC=[C-]2)C3=CC=CC=[C-]3.CC(C)(C1=NC(=CC=C1)C(C)(C)C2=CC=CC=[C-]2)C3=CC=CC=[C-]3.C1=CC=C([C-]=C1)C2=NC3=C(C=CC4=C3N=CC=C4)C=C2.C1=CC(=[C-]C(=C1)N2C=CC=N2)N3C=CC=N3.C1=CN(N=C1)C2=[C-]C(=C(C=C2F)F)N3C=CC=N3.[Ir+3].[Ir+3].[Ir+3].[Ir+3]
InChIInChI=1S/3C23H23N.C22H23N2.C18H11N2.C15H12F3N5.C12H7F2N4.C12H9N4.4Ir/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;1-21(2,19-12-5-7-14-23-19)17-10-9-11-18(16-17)22(3,4)20-13-6-8-15-24-20;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;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;5-15H,1-4H3;1-5,7-12H;4-6H,1-3H3;1-7H;1-9H;;;;/q3*-2;2*-1;-2;2*-1;4*+3
InChIKeyYZZPEQPDHRITAP-UHFFFAOYSA-N
XLogP—
TPSA202.00 Ų
H-Bond Donors
H-Bond Acceptors31
Rotatable Bonds
Heavy Atoms177
Complexity4650

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003053.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1031

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;1-(3-pyrazol-1-ylbenzene-2-id-1-yl)pyrazole;2-[2-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]propan-2-yl]pyridine with MolForge

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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;1-(3-pyrazol-1-ylbenzene-2-id-1-yl)pyrazole;2-[2-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]propan-2-yl]pyridine?
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;1-(3-pyrazol-1-ylbenzene-2-id-1-yl)pyrazole;2-[2-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]propan-2-yl]pyridine (CID 157774219) 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;1-(3-pyrazol-1-ylbenzene-2-id-1-yl)pyrazole;2-[2-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]propan-2-yl]pyridine.
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;1-(3-pyrazol-1-ylbenzene-2-id-1-yl)pyrazole;2-[2-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]propan-2-yl]pyridine?
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;1-(3-pyrazol-1-ylbenzene-2-id-1-yl)pyrazole;2-[2-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]propan-2-yl]pyridine is CC1=C([N-]N=C1C)C2=NC(=CC=C2)C3=C(C(=N[N-]3)C(F)(F)F)C.CC(C)(C1=[C-]C(=CC=C1)C(C)(C)C2=CC=CC=N2)C3=CC=CC=N3.CC(C)(C1=NC(=CC=C1)C(C)(C)C2=CC=CC=[C-]2)C3=CC=CC=[C-]3.CC(C)(C1=NC(=CC=C1)C(C)(C)C2=CC=CC=[C-]2)C3=CC=CC=[C-]3.CC(C)(C1=NC(=CC=C1)C(C)(C)C2=CC=CC=[C-]2)C3=CC=CC=[C-]3.C1=CC=C([C-]=C1)C2=NC3=C(C=CC4=C3N=CC=C4)C=C2.C1=CC(=[C-]C(=C1)N2C=CC=N2)N3C=CC=N3.C1=CN(N=C1)C2=[C-]C(=C(C=C2F)F)N3C=CC=N3.[Ir+3].[Ir+3].[Ir+3].[Ir+3].
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;1-(3-pyrazol-1-ylbenzene-2-id-1-yl)pyrazole;2-[2-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]propan-2-yl]pyridine?
The InChIKey is YZZPEQPDHRITAP-UHFFFAOYSA-N. The full InChI is InChI=1S/3C23H23N.C22H23N2.C18H11N2.C15H12F3N5.C12H7F2N4.C12H9N4.4Ir/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;1-21(2,19-12-5-7-14-23-19)17-10-9-11-18(16-17)22(3,4)20-13-6-8-15-24-20;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;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;5-15H,1-4H3;1-5,7-12H;4-6H,1-3H3;1-7H;1-9H;;;;/q3*-2;2*-1;-2;2*-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;1-(3-pyrazol-1-ylbenzene-2-id-1-yl)pyrazole;2-[2-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]propan-2-yl]pyridine?
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;1-(3-pyrazol-1-ylbenzene-2-id-1-yl)pyrazole;2-[2-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]propan-2-yl]pyridine has a molecular weight of 3053.60 g/mol, XLogP of not available, 0 rotatable bonds, 0 hydrogen bond donors, and 31 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;1-(3-pyrazol-1-ylbenzene-2-id-1-yl)pyrazole;2-[2-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]propan-2-yl]pyridine is sourced from PubChem (CID 157774219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).