[4-(2-adamantylmethyl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;(4-ethyl-6-phenyl-3-pyridinyl)-methyl-bis(trideuteriomethyl)silane;tetrakis(iridium);tetrakis(2-phenylpyridine);trimethyl-[6-phenyl-4-[2,3,3,3-tetradeuterio-2-(trideuteriomethyl)propyl]-3-pyridinyl]silane;trimethyl-[6-phenyl-4-(2,2,2-trideuterioethyl)-3-pyridinyl]silane

C120H127F3Ir4N8Si4-8 — CID 159824524

IUPAC[4-(2-adamantylmethyl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;(4-ethyl-6-phenyl-3-pyridinyl)-methyl-bis(trideuteriomethyl)silane;tetrakis(iridium);tetrakis(2-phenylpyridine);trimethyl-[6-phenyl-4-[2,3,3,3-tetradeuterio-2-(trideuteriomethyl)propyl]-3-pyridinyl]silane;trimethyl-[6-phenyl-4-(2,2,2-trideuterioethyl)-3-pyridinyl]silane
SMILESC[Si](C)(C)c1cnc(-c2[c-]cc(C(F)(F)F)cc2)cc1CC1C2CC3CC(C2)CC1C3.[2H]C([2H])([2H])C([2H])(Cc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C)C([2H])([2H])[2H].[2H]C([2H])([2H])Cc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.[2H]C([2H])([2H])[Si](C)(c1cnc(-c2[c-]cccc2)cc1CC)C([2H])([2H])[2H].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C26H31F3NSi.C18H24NSi.2C16H20NSi.4C11H8N.4Ir/c1-31(2,3)25-15-30-24(18-4-6-22(7-5-18)26(27,28)29)14-21(25)13-23-19-9-16-8-17(11-19)12-20(23)10-16;1-14(2)11-16-12-17(15-9-7-6-8-10-15)19-13-18(16)20(3,4)5;2*1-5-13-11-15(14-9-7-6-8-10-14)17-12-16(13)18(2,3)4;4*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;/h4,6-7,14-17,19-20,23H,8-13H2,1-3H3;6-9,12-14H,11H2,1-5H3;2*6-9,11-12H,5H2,1-4H3;4*1-6,8-9H;;;;/q8*-1;;;;/i;1D3,2D3,14D;2D3,3D3;1D3;;;;;;;;
InChIKeyXIHUEWCORCHLNS-OAKKHDLWSA-N
MW2635.70 g/mol
LogP28.52
Rot. Bonds23

About [4-(2-adamantylmethyl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;(4-ethyl-6-phenyl-3-pyridinyl)-methyl-bis(trideuteriomethyl)silane;tetrakis(iridium);tetrakis(2-phenylpyridine);trimethyl-[6-phenyl-4-[2,3,3,3-tetradeuterio-2-(trideuteriomethyl)propyl]-3-pyridinyl]silane;trimethyl-[6-phenyl-4-(2,2,2-trideuterioethyl)-3-pyridinyl]silane

[4-(2-adamantylmethyl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;(4-ethyl-6-phenyl-3-pyridinyl)-methyl-bis(trideuteriomethyl)silane;tetrakis(iridium);tetrakis(2-phenylpyridine);trimethyl-[6-phenyl-4-[2,3,3,3-tetradeuterio-2-(trideuteriomethyl)propyl]-3-pyridinyl]silane;trimethyl-[6-phenyl-4-(2,2,2-trideuterioethyl)-3-pyridinyl]silane (PubChem CID 159824524) has the molecular formula C120H127F3Ir4N8Si4-8 and a molecular weight of 2635.70 g/mol. Its IUPAC name is [4-(2-adamantylmethyl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;(4-ethyl-6-phenyl-3-pyridinyl)-methyl-bis(trideuteriomethyl)silane;tetrakis(iridium);tetrakis(2-phenylpyridine);trimethyl-[6-phenyl-4-[2,3,3,3-tetradeuterio-2-(trideuteriomethyl)propyl]-3-pyridinyl]silane;trimethyl-[6-phenyl-4-(2,2,2-trideuterioethyl)-3-pyridinyl]silane.

Molecular Properties

Compound Name[4-(2-adamantylmethyl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;(4-ethyl-6-phenyl-3-pyridinyl)-methyl-bis(trideuteriomethyl)silane;tetrakis(iridium);tetrakis(2-phenylpyridine);trimethyl-[6-phenyl-4-[2,3,3,3-tetradeuterio-2-(trideuteriomethyl)propyl]-3-pyridinyl]silane;trimethyl-[6-phenyl-4-(2,2,2-trideuterioethyl)-3-pyridinyl]silane
PubChem CID159824524
Molecular FormulaC120H127F3Ir4N8Si4-8
Molecular Weight2635.70 g/mol
Exact Mass2636.88
IUPAC Name[4-(2-adamantylmethyl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;(4-ethyl-6-phenyl-3-pyridinyl)-methyl-bis(trideuteriomethyl)silane;tetrakis(iridium);tetrakis(2-phenylpyridine);trimethyl-[6-phenyl-4-[2,3,3,3-tetradeuterio-2-(trideuteriomethyl)propyl]-3-pyridinyl]silane;trimethyl-[6-phenyl-4-(2,2,2-trideuterioethyl)-3-pyridinyl]silane
SMILESC[Si](C)(C)c1cnc(-c2[c-]cc(C(F)(F)F)cc2)cc1CC1C2CC3CC(C2)CC1C3.[2H]C([2H])([2H])C([2H])(Cc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C)C([2H])([2H])[2H].[2H]C([2H])([2H])Cc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.[2H]C([2H])([2H])[Si](C)(c1cnc(-c2[c-]cccc2)cc1CC)C([2H])([2H])[2H].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C26H31F3NSi.C18H24NSi.2C16H20NSi.4C11H8N.4Ir/c1-31(2,3)25-15-30-24(18-4-6-22(7-5-18)26(27,28)29)14-21(25)13-23-19-9-16-8-17(11-19)12-20(23)10-16;1-14(2)11-16-12-17(15-9-7-6-8-10-15)19-13-18(16)20(3,4)5;2*1-5-13-11-15(14-9-7-6-8-10-14)17-12-16(13)18(2,3)4;4*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;/h4,6-7,14-17,19-20,23H,8-13H2,1-3H3;6-9,12-14H,11H2,1-5H3;2*6-9,11-12H,5H2,1-4H3;4*1-6,8-9H;;;;/q8*-1;;;;/i;1D3,2D3,14D;2D3,3D3;1D3;;;;;;;;
InChIKeyXIHUEWCORCHLNS-OAKKHDLWSA-N
XLogP28.52
TPSA103.12 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds23
Heavy Atoms139
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002635.70
LogP ≤ 528.52
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-(2-adamantylmethyl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;(4-ethyl-6-phenyl-3-pyridinyl)-methyl-bis(trideuteriomethyl)silane;tetrakis(iridium);tetrakis(2-phenylpyridine);trimethyl-[6-phenyl-4-[2,3,3,3-tetradeuterio-2-(trideuteriomethyl)propyl]-3-pyridinyl]silane;trimethyl-[6-phenyl-4-(2,2,2-trideuterioethyl)-3-pyridinyl]silane with MolForge

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Related Compounds

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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
Benzene;hexakis(2-[3,5-bis(trifluoromethyl)pyrrol-1-id-2-yl]pyridine);hexakis(copper(1+))
CID 139132391
Gross107 (Sudhakar)
CID 139174614
bis(1-[5-[3,5-bis(trifluoromethyl)phenyl]pyrrol-1-id-2-yl]-N,N-bis[[5-[3,5-bis(trifluoromethyl)phenyl]pyrrol-1-id-2-yl]methyl]methanamine);hexane;decakis(pyridine);bis(uranium(4+))
CID 168337712
platinum(2+);bis(7-(trifluoromethyl)spiro[9H-[1]benzosilolo[3,2-b]pyridin-9-ide-5,5'-benzo[b][1]benzosilole])
CID 59661622
9-[2,6-Bis[4-[3,6-bis(3,5-dimethylphenyl)carbazol-9-yl]pyridin-3-yl]-4-(trifluoromethyl)phenyl]-3-(3,5-dimethylphenyl)-6-[2-[[3,5-dimethyl-4-[9-[3-[5-(trifluoromethyl)-2-[3-(2,4,6-trimethylphenyl)carbazol-9-yl]-3-[4-[3-(2,4,6-trimethylphenyl)carbazol-9-yl]pyridin-3-yl]phenyl]pyridin-4-yl]carbazol-3-yl]phenyl]methyl]-3,5-dimethylphenyl]carbazole
CID 139313534
Iridium(3+);2-[3-(3-phenylphenyl)-4-[2-[3-[2-[2-(3-phenylphenyl)-4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)-2-pyridinyl]benzene-5-id-1-yl]phenyl]-5-[2-(2-phenyl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]benzene-6-id-1-yl]-5-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine
CID 153319875
9-[2-[2-[3-[2-[2-Carbazol-9-yl-4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)-2-pyridinyl]benzene-5-id-1-yl]phenyl]-5-[2-(2-phenyl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]-5-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)-2-pyridinyl]benzene-4-id-1-yl]carbazole;iridium(3+)
CID 153319951

Frequently Asked Questions

What is the IUPAC name of [4-(2-adamantylmethyl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;(4-ethyl-6-phenyl-3-pyridinyl)-methyl-bis(trideuteriomethyl)silane;tetrakis(iridium);tetrakis(2-phenylpyridine);trimethyl-[6-phenyl-4-[2,3,3,3-tetradeuterio-2-(trideuteriomethyl)propyl]-3-pyridinyl]silane;trimethyl-[6-phenyl-4-(2,2,2-trideuterioethyl)-3-pyridinyl]silane?
The IUPAC name of [4-(2-adamantylmethyl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;(4-ethyl-6-phenyl-3-pyridinyl)-methyl-bis(trideuteriomethyl)silane;tetrakis(iridium);tetrakis(2-phenylpyridine);trimethyl-[6-phenyl-4-[2,3,3,3-tetradeuterio-2-(trideuteriomethyl)propyl]-3-pyridinyl]silane;trimethyl-[6-phenyl-4-(2,2,2-trideuterioethyl)-3-pyridinyl]silane (CID 159824524) is [4-(2-adamantylmethyl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;(4-ethyl-6-phenyl-3-pyridinyl)-methyl-bis(trideuteriomethyl)silane;tetrakis(iridium);tetrakis(2-phenylpyridine);trimethyl-[6-phenyl-4-[2,3,3,3-tetradeuterio-2-(trideuteriomethyl)propyl]-3-pyridinyl]silane;trimethyl-[6-phenyl-4-(2,2,2-trideuterioethyl)-3-pyridinyl]silane.
What is the SMILES notation for [4-(2-adamantylmethyl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;(4-ethyl-6-phenyl-3-pyridinyl)-methyl-bis(trideuteriomethyl)silane;tetrakis(iridium);tetrakis(2-phenylpyridine);trimethyl-[6-phenyl-4-[2,3,3,3-tetradeuterio-2-(trideuteriomethyl)propyl]-3-pyridinyl]silane;trimethyl-[6-phenyl-4-(2,2,2-trideuterioethyl)-3-pyridinyl]silane?
The canonical SMILES for [4-(2-adamantylmethyl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;(4-ethyl-6-phenyl-3-pyridinyl)-methyl-bis(trideuteriomethyl)silane;tetrakis(iridium);tetrakis(2-phenylpyridine);trimethyl-[6-phenyl-4-[2,3,3,3-tetradeuterio-2-(trideuteriomethyl)propyl]-3-pyridinyl]silane;trimethyl-[6-phenyl-4-(2,2,2-trideuterioethyl)-3-pyridinyl]silane is C[Si](C)(C)c1cnc(-c2[c-]cc(C(F)(F)F)cc2)cc1CC1C2CC3CC(C2)CC1C3.[2H]C([2H])([2H])C([2H])(Cc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C)C([2H])([2H])[2H].[2H]C([2H])([2H])Cc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.[2H]C([2H])([2H])[Si](C)(c1cnc(-c2[c-]cccc2)cc1CC)C([2H])([2H])[2H].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.
What is the InChIKey of [4-(2-adamantylmethyl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;(4-ethyl-6-phenyl-3-pyridinyl)-methyl-bis(trideuteriomethyl)silane;tetrakis(iridium);tetrakis(2-phenylpyridine);trimethyl-[6-phenyl-4-[2,3,3,3-tetradeuterio-2-(trideuteriomethyl)propyl]-3-pyridinyl]silane;trimethyl-[6-phenyl-4-(2,2,2-trideuterioethyl)-3-pyridinyl]silane?
The InChIKey is XIHUEWCORCHLNS-OAKKHDLWSA-N. The full InChI is InChI=1S/C26H31F3NSi.C18H24NSi.2C16H20NSi.4C11H8N.4Ir/c1-31(2,3)25-15-30-24(18-4-6-22(7-5-18)26(27,28)29)14-21(25)13-23-19-9-16-8-17(11-19)12-20(23)10-16;1-14(2)11-16-12-17(15-9-7-6-8-10-15)19-13-18(16)20(3,4)5;2*1-5-13-11-15(14-9-7-6-8-10-14)17-12-16(13)18(2,3)4;4*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;/h4,6-7,14-17,19-20,23H,8-13H2,1-3H3;6-9,12-14H,11H2,1-5H3;2*6-9,11-12H,5H2,1-4H3;4*1-6,8-9H;;;;/q8*-1;;;;/i;1D3,2D3,14D;2D3,3D3;1D3;;;;;;;;.
What are the key properties of [4-(2-adamantylmethyl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;(4-ethyl-6-phenyl-3-pyridinyl)-methyl-bis(trideuteriomethyl)silane;tetrakis(iridium);tetrakis(2-phenylpyridine);trimethyl-[6-phenyl-4-[2,3,3,3-tetradeuterio-2-(trideuteriomethyl)propyl]-3-pyridinyl]silane;trimethyl-[6-phenyl-4-(2,2,2-trideuterioethyl)-3-pyridinyl]silane?
[4-(2-adamantylmethyl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;(4-ethyl-6-phenyl-3-pyridinyl)-methyl-bis(trideuteriomethyl)silane;tetrakis(iridium);tetrakis(2-phenylpyridine);trimethyl-[6-phenyl-4-[2,3,3,3-tetradeuterio-2-(trideuteriomethyl)propyl]-3-pyridinyl]silane;trimethyl-[6-phenyl-4-(2,2,2-trideuterioethyl)-3-pyridinyl]silane has a molecular weight of 2635.70 g/mol, XLogP of 28.52, 23 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-adamantylmethyl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;(4-ethyl-6-phenyl-3-pyridinyl)-methyl-bis(trideuteriomethyl)silane;tetrakis(iridium);tetrakis(2-phenylpyridine);trimethyl-[6-phenyl-4-[2,3,3,3-tetradeuterio-2-(trideuteriomethyl)propyl]-3-pyridinyl]silane;trimethyl-[6-phenyl-4-(2,2,2-trideuterioethyl)-3-pyridinyl]silane is sourced from PubChem (CID 159824524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).