[4-butan-2-yl-6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;tetrakis(iridium);bis(2-phenylpyridine);bis(2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine);trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane;trimethyl-[4-(2-methylpropyl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]silane;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane

C119H122F12Ir4N8Si4-8 — CID 161118650

IUPAC[4-butan-2-yl-6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;tetrakis(iridium);bis(2-phenylpyridine);bis(2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine);trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane;trimethyl-[4-(2-methylpropyl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]silane;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane
SMILESCC(C)Cc1cc(-c2[c-]cc(C(F)(F)F)cc2)ncc1[Si](C)(C)C.CC(C)Cc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.CC(C)c1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.CCC(C)c1cc(-c2[c-]cc(C(F)(F)F)cc2)ncc1[Si](C)(C)C.FC(F)(F)c1c[c-]c(-c2ccccn2)cc1.FC(F)(F)c1c[c-]c(-c2ccccn2)cc1.[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
InChIInChI=1S/2C19H23F3NSi.C18H24NSi.C17H22NSi.2C12H7F3N.2C11H8N.4Ir/c1-13(2)10-15-11-17(23-12-18(15)24(3,4)5)14-6-8-16(9-7-14)19(20,21)22;1-6-13(2)16-11-17(23-12-18(16)24(3,4)5)14-7-9-15(10-8-14)19(20,21)22;1-14(2)11-16-12-17(15-9-7-6-8-10-15)19-13-18(16)20(3,4)5;1-13(2)15-11-16(14-9-7-6-8-10-14)18-12-17(15)19(3,4)5;2*13-12(14,15)10-6-4-9(5-7-10)11-3-1-2-8-16-11;2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;/h6,8-9,11-13H,10H2,1-5H3;7,9-13H,6H2,1-5H3;6-9,12-14H,11H2,1-5H3;6-9,11-13H,1-5H3;2*1-4,6-8H;2*1-6,8-9H;;;;/q8*-1;;;;
InChIKeyCNRJHXYCYPUSHG-UHFFFAOYSA-N
MW2773.53 g/mol
LogP31.67
Rot. Bonds19

About [4-butan-2-yl-6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;tetrakis(iridium);bis(2-phenylpyridine);bis(2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine);trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane;trimethyl-[4-(2-methylpropyl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]silane;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane

[4-butan-2-yl-6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;tetrakis(iridium);bis(2-phenylpyridine);bis(2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine);trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane;trimethyl-[4-(2-methylpropyl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]silane;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane (PubChem CID 161118650) has the molecular formula C119H122F12Ir4N8Si4-8 and a molecular weight of 2773.53 g/mol. Its IUPAC name is [4-butan-2-yl-6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;tetrakis(iridium);bis(2-phenylpyridine);bis(2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine);trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane;trimethyl-[4-(2-methylpropyl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]silane;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane.

Molecular Properties

Compound Name[4-butan-2-yl-6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;tetrakis(iridium);bis(2-phenylpyridine);bis(2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine);trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane;trimethyl-[4-(2-methylpropyl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]silane;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane
PubChem CID161118650
Molecular FormulaC119H122F12Ir4N8Si4-8
Molecular Weight2773.53 g/mol
Exact Mass2774.72
IUPAC Name[4-butan-2-yl-6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;tetrakis(iridium);bis(2-phenylpyridine);bis(2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine);trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane;trimethyl-[4-(2-methylpropyl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]silane;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane
SMILESCC(C)Cc1cc(-c2[c-]cc(C(F)(F)F)cc2)ncc1[Si](C)(C)C.CC(C)Cc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.CC(C)c1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.CCC(C)c1cc(-c2[c-]cc(C(F)(F)F)cc2)ncc1[Si](C)(C)C.FC(F)(F)c1c[c-]c(-c2ccccn2)cc1.FC(F)(F)c1c[c-]c(-c2ccccn2)cc1.[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
InChIInChI=1S/2C19H23F3NSi.C18H24NSi.C17H22NSi.2C12H7F3N.2C11H8N.4Ir/c1-13(2)10-15-11-17(23-12-18(15)24(3,4)5)14-6-8-16(9-7-14)19(20,21)22;1-6-13(2)16-11-17(23-12-18(16)24(3,4)5)14-7-9-15(10-8-14)19(20,21)22;1-14(2)11-16-12-17(15-9-7-6-8-10-15)19-13-18(16)20(3,4)5;1-13(2)15-11-16(14-9-7-6-8-10-14)18-12-17(15)19(3,4)5;2*13-12(14,15)10-6-4-9(5-7-10)11-3-1-2-8-16-11;2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;/h6,8-9,11-13H,10H2,1-5H3;7,9-13H,6H2,1-5H3;6-9,12-14H,11H2,1-5H3;6-9,11-13H,1-5H3;2*1-4,6-8H;2*1-6,8-9H;;;;/q8*-1;;;;
InChIKeyCNRJHXYCYPUSHG-UHFFFAOYSA-N
XLogP31.67
TPSA103.12 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds19
Heavy Atoms147
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002773.53
LogP ≤ 531.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze [4-butan-2-yl-6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;tetrakis(iridium);bis(2-phenylpyridine);bis(2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine);trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane;trimethyl-[4-(2-methylpropyl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]silane;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane with MolForge

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Related Compounds

[4-butan-2-yl-6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;[4-ethyl-6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;tetrakis(iridium);tetrakis(2-phenylpyridine);trimethyl-[6-(4-methylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]silane;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-4-propan-2-yl-3-pyridinyl]silane
CID 159576212
(4-butyl-6-phenyl-3-pyridinyl)-trimethylsilane;[4-(3,3-dimethylbutan-2-yl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;tetrakis(iridium);bis(2-phenylpyridine);bis(2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine);trimethyl-[4-(3-methylbutan-2-yl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]silane
CID 158323965
[4-(2-adamantylmethyl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;(4-butan-2-yl-6-phenyl-3-pyridinyl)-trimethylsilane;[4-(cyclohexylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;tetrakis(iridium);methane;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane;trimethyl-(6-phenyl-3-pyridinyl)silane;tris(trimethyl-[6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]silane)
CID 161316753
[6-(4-carbazol-9-ylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium;2-phenylpyridine
CID 164706399
ethanol;iridium;iridium(3+);methanol;2-phenylpyridine;2-phenylpyridine;trifluoromethanesulfonic acid;tetrakis(trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane)
CID 160553408
[4-butan-2-yl-6-(3H-dibenzothiophen-3-id-2-yl)-3-pyridinyl]-trimethylsilane;[4-cyclopentyl-6-(3H-dibenzofuran-3-id-2-yl)-3-pyridinyl]-trimethylsilane;[6-(3H-dibenzofuran-3-id-2-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;[6-(3H-dibenzothiophen-3-id-2-yl)-4-propan-2-yl-3-pyridinyl]-trimethylsilane;tetrakis(iridium);tetrakis(2-phenylpyridine)
CID 158343238
(4-butyl-6-phenyl-3-pyridinyl)-trimethylsilane;[4-(cyclopentylmethyl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;(4-hexyl-6-phenyl-3-pyridinyl)-trimethylsilane;tetrakis(iridium);bis(2-phenylpyridine);bis(2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine);trimethyl-[4-pentyl-6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]silane
CID 159603355
[4-tert-butyl-6-(4-phenylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;[4-ethyl-6-(4-phenylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;tetrakis(iridium);tetrakis(2-phenylpyridine);trimethyl-[6-(4-phenylbenzene-6-id-1-yl)-4-propan-2-yl-3-pyridinyl]silane;trimethyl-[6-(4-phenylbenzene-6-id-1-yl)-4-propyl-3-pyridinyl]silane
CID 158186165
(4-butan-2-yl-6-phenyl-3-pyridinyl)-trimethylsilane;(4-ethyl-6-phenyl-3-pyridinyl)-trimethylsilane;pentakis(iridium);trimethyl-[4-(3-methylbutan-2-yl)-6-phenyl-3-pyridinyl]silane;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane;trimethyl-(6-phenyl-4-propyl-3-pyridinyl)silane;pentakis(trimethyl-(6-phenyl-3-pyridinyl)silane)
CID 162130870
iridium;2-(4-methylbenzene-6-id-1-yl)-4-(2-phenylpropan-2-yl)pyridine;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
CID 162709019
[4-(3,3-dimethylbutan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;(4-ethyl-6-phenyl-3-pyridinyl)-trimethylsilane;pentakis(iridium);trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane;pentakis(trimethyl-(4-phenyl-6-phenyl-3-pyridinyl)silane);trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane
CID 158969029
iridium;2-(4-methylbenzene-6-id-1-yl)-4-(1-phenylethyl)pyridine;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
CID 162707114

Frequently Asked Questions

What is the IUPAC name of [4-butan-2-yl-6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;tetrakis(iridium);bis(2-phenylpyridine);bis(2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine);trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane;trimethyl-[4-(2-methylpropyl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]silane;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane?
The IUPAC name of [4-butan-2-yl-6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;tetrakis(iridium);bis(2-phenylpyridine);bis(2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine);trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane;trimethyl-[4-(2-methylpropyl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]silane;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane (CID 161118650) is [4-butan-2-yl-6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;tetrakis(iridium);bis(2-phenylpyridine);bis(2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine);trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane;trimethyl-[4-(2-methylpropyl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]silane;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane.
What is the SMILES notation for [4-butan-2-yl-6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;tetrakis(iridium);bis(2-phenylpyridine);bis(2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine);trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane;trimethyl-[4-(2-methylpropyl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]silane;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane?
The canonical SMILES for [4-butan-2-yl-6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;tetrakis(iridium);bis(2-phenylpyridine);bis(2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine);trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane;trimethyl-[4-(2-methylpropyl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]silane;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane is CC(C)Cc1cc(-c2[c-]cc(C(F)(F)F)cc2)ncc1[Si](C)(C)C.CC(C)Cc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.CC(C)c1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.CCC(C)c1cc(-c2[c-]cc(C(F)(F)F)cc2)ncc1[Si](C)(C)C.FC(F)(F)c1c[c-]c(-c2ccccn2)cc1.FC(F)(F)c1c[c-]c(-c2ccccn2)cc1.[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.
What is the InChIKey of [4-butan-2-yl-6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;tetrakis(iridium);bis(2-phenylpyridine);bis(2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine);trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane;trimethyl-[4-(2-methylpropyl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]silane;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane?
The InChIKey is CNRJHXYCYPUSHG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C19H23F3NSi.C18H24NSi.C17H22NSi.2C12H7F3N.2C11H8N.4Ir/c1-13(2)10-15-11-17(23-12-18(15)24(3,4)5)14-6-8-16(9-7-14)19(20,21)22;1-6-13(2)16-11-17(23-12-18(16)24(3,4)5)14-7-9-15(10-8-14)19(20,21)22;1-14(2)11-16-12-17(15-9-7-6-8-10-15)19-13-18(16)20(3,4)5;1-13(2)15-11-16(14-9-7-6-8-10-14)18-12-17(15)19(3,4)5;2*13-12(14,15)10-6-4-9(5-7-10)11-3-1-2-8-16-11;2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;/h6,8-9,11-13H,10H2,1-5H3;7,9-13H,6H2,1-5H3;6-9,12-14H,11H2,1-5H3;6-9,11-13H,1-5H3;2*1-4,6-8H;2*1-6,8-9H;;;;/q8*-1;;;;.
What are the key properties of [4-butan-2-yl-6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;tetrakis(iridium);bis(2-phenylpyridine);bis(2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine);trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane;trimethyl-[4-(2-methylpropyl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]silane;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane?
[4-butan-2-yl-6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;tetrakis(iridium);bis(2-phenylpyridine);bis(2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine);trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane;trimethyl-[4-(2-methylpropyl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]silane;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane has a molecular weight of 2773.53 g/mol, XLogP of 31.67, 19 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-butan-2-yl-6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;tetrakis(iridium);bis(2-phenylpyridine);bis(2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine);trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane;trimethyl-[4-(2-methylpropyl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]silane;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane is sourced from PubChem (CID 161118650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).