[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)

C145H182F12Ir4N8Si8-8 — CID 161316753

About [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)

[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) (PubChem CID 161316753) has the molecular formula C145H182F12Ir4N8Si8-8 and a molecular weight of 3258.64 g/mol. Its IUPAC name is [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).

Molecular Properties

• Compound Name: [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)
• PubChem CID: 161316753
• Molecular Formula: C145H182F12Ir4N8Si8-8
• Molecular Weight: 3258.64 g/mol
• Exact Mass: 3259.10
• IUPAC Name: [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)
• SMILES: C.C.C.C.CC(C)c1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.CCC(C)c1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.C[Si](C)(C)c1ccc(-c2[c-]cc(C(F)(F)F)cc2)nc1.C[Si](C)(C)c1ccc(-c2[c-]cc(C(F)(F)F)cc2)nc1.C[Si](C)(C)c1ccc(-c2[c-]cc(C(F)(F)F)cc2)nc1.C[Si](C)(C)c1ccc(-c2[c-]cccc2)nc1.C[Si](C)(C)c1cnc(-c2[c-]cc(C(F)(F)F)cc2)cc1CC1C2CC3CC(C2)CC1C3.C[Si](C)(C)c1cnc(-c2[c-]cccc2)cc1CC1CCCCC1.[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/C26H31F3NSi.C21H28NSi.C18H24NSi.C17H22NSi.3C15H15F3NSi.C14H16NSi.4CH4.4Ir/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;1-23(2,3)21-16-22-20(18-12-8-5-9-13-18)15-19(21)14-17-10-6-4-7-11-17;1-6-14(2)16-12-17(15-10-8-7-9-11-15)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;3*1-20(2,3)13-8-9-14(19-10-13)11-4-6-12(7-5-11)15(16,17)18;1-16(2,3)13-9-10-14(15-11-13)12-7-5-4-6-8-12;;;;;;;;/h4,6-7,14-17,19-20,23H,8-13H2,1-3H3;5,8-9,12,15-17H,4,6-7,10-11,14H2,1-3H3;7-10,12-14H,6H2,1-5H3;6-9,11-13H,1-5H3;3*4,6-10H,1-3H3;4-7,9-11H,1-3H3;4*1H4;;;;/q8*-1
• InChIKey: JLFXUMSOWNRMAL-UHFFFAOYSA-N
• XLogP: 38.74
• TPSA: 103.12 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 23
• Heavy Atoms: 177
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	3258.64
LogP ≤ 5	38.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [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)?

The IUPAC name of [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) is [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).

What is the SMILES notation for [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)?

The canonical SMILES for [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) is C.C.C.C.CC(C)c1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.CCC(C)c1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.C[Si](C)(C)c1ccc(-c2[c-]cc(C(F)(F)F)cc2)nc1.C[Si](C)(C)c1ccc(-c2[c-]cc(C(F)(F)F)cc2)nc1.C[Si](C)(C)c1ccc(-c2[c-]cc(C(F)(F)F)cc2)nc1.C[Si](C)(C)c1ccc(-c2[c-]cccc2)nc1.C[Si](C)(C)c1cnc(-c2[c-]cc(C(F)(F)F)cc2)cc1CC1C2CC3CC(C2)CC1C3.C[Si](C)(C)c1cnc(-c2[c-]cccc2)cc1CC1CCCCC1.[Ir].[Ir].[Ir].[Ir].

What is the InChIKey of [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)?

The InChIKey is JLFXUMSOWNRMAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31F3NSi.C21H28NSi.C18H24NSi.C17H22NSi.3C15H15F3NSi.C14H16NSi.4CH4.4Ir/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;1-23(2,3)21-16-22-20(18-12-8-5-9-13-18)15-19(21)14-17-10-6-4-7-11-17;1-6-14(2)16-12-17(15-10-8-7-9-11-15)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;3*1-20(2,3)13-8-9-14(19-10-13)11-4-6-12(7-5-11)15(16,17)18;1-16(2,3)13-9-10-14(15-11-13)12-7-5-4-6-8-12;;;;;;;;/h4,6-7,14-17,19-20,23H,8-13H2,1-3H3;5,8-9,12,15-17H,4,6-7,10-11,14H2,1-3H3;7-10,12-14H,6H2,1-5H3;6-9,11-13H,1-5H3;3*4,6-10H,1-3H3;4-7,9-11H,1-3H3;4*1H4;;;;/q8*-1;;;;;;;;.

What are the key properties of [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)?

[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) has a molecular weight of 3258.64 g/mol, XLogP of 38.74, 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-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) is sourced from PubChem (CID 161316753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).