[4-butan-2-yl-6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;pentakis(iridium);trimethyl-[4-(3-methylbutan-2-yl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]silane;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane;tris(trimethyl-(6-phenyl-3-pyridinyl)silane);trimethyl-[4-propyl-6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]silane;bis(trimethyl-[6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]silane)

C164H193F15Ir5N10Si10-10 — CID 157102464

IUPAC[4-butan-2-yl-6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;pentakis(iridium);trimethyl-[4-(3-methylbutan-2-yl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]silane;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane;tris(trimethyl-(6-phenyl-3-pyridinyl)silane);trimethyl-[4-propyl-6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]silane;bis(trimethyl-[6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]silane)
SMILESCC(C)C(C)c1cc(-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.CCCc1cc(-c2[c-]cc(C(F)(F)F)cc2)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-]cccc2)nc1.C[Si](C)(C)c1ccc(-c2[c-]cccc2)nc1.C[Si](C)(C)c1ccc(-c2[c-]cccc2)nc1.[Ir].[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C20H25F3NSi.C19H23F3NSi.C18H21F3NSi.C18H24NSi.C17H22NSi.2C15H15F3NSi.3C14H16NSi.5Ir/c1-13(2)14(3)17-11-18(24-12-19(17)25(4,5)6)15-7-9-16(10-8-15)20(21,22)23;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;1-5-6-14-11-16(22-12-17(14)23(2,3)4)13-7-9-15(10-8-13)18(19,20)21;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*1-20(2,3)13-8-9-14(19-10-13)11-4-6-12(7-5-11)15(16,17)18;3*1-16(2,3)13-9-10-14(15-11-13)12-7-5-4-6-8-12;;;;;/h7,9-14H,1-6H3;7,9-13H,6H2,1-5H3;7,9-12H,5-6H2,1-4H3;6-9,12-14H,11H2,1-5H3;6-9,11-13H,1-5H3;2*4,6-10H,1-3H3;3*4-7,9-11H,1-3H3;;;;;/q10*-1;;;;;
InChIKeyBPYPNLLAJHPQMY-UHFFFAOYSA-N
MW3831.33 g/mol
LogP42.57
Rot. Bonds29

About [4-butan-2-yl-6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;pentakis(iridium);trimethyl-[4-(3-methylbutan-2-yl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]silane;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane;tris(trimethyl-(6-phenyl-3-pyridinyl)silane);trimethyl-[4-propyl-6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]silane;bis(trimethyl-[6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]silane)

[4-butan-2-yl-6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;pentakis(iridium);trimethyl-[4-(3-methylbutan-2-yl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]silane;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane;tris(trimethyl-(6-phenyl-3-pyridinyl)silane);trimethyl-[4-propyl-6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]silane;bis(trimethyl-[6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]silane) (PubChem CID 157102464) has the molecular formula C164H193F15Ir5N10Si10-10 and a molecular weight of 3831.33 g/mol. Its IUPAC name is [4-butan-2-yl-6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;pentakis(iridium);trimethyl-[4-(3-methylbutan-2-yl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]silane;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane;tris(trimethyl-(6-phenyl-3-pyridinyl)silane);trimethyl-[4-propyl-6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]silane;bis(trimethyl-[6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]silane).

Molecular Properties

Compound Name[4-butan-2-yl-6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;pentakis(iridium);trimethyl-[4-(3-methylbutan-2-yl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]silane;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane;tris(trimethyl-(6-phenyl-3-pyridinyl)silane);trimethyl-[4-propyl-6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]silane;bis(trimethyl-[6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]silane)
PubChem CID157102464
Molecular FormulaC164H193F15Ir5N10Si10-10
Molecular Weight3831.33 g/mol
Exact Mass3832.11
IUPAC Name[4-butan-2-yl-6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;pentakis(iridium);trimethyl-[4-(3-methylbutan-2-yl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]silane;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane;tris(trimethyl-(6-phenyl-3-pyridinyl)silane);trimethyl-[4-propyl-6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]silane;bis(trimethyl-[6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]silane)
SMILESCC(C)C(C)c1cc(-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.CCCc1cc(-c2[c-]cc(C(F)(F)F)cc2)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-]cccc2)nc1.C[Si](C)(C)c1ccc(-c2[c-]cccc2)nc1.C[Si](C)(C)c1ccc(-c2[c-]cccc2)nc1.[Ir].[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C20H25F3NSi.C19H23F3NSi.C18H21F3NSi.C18H24NSi.C17H22NSi.2C15H15F3NSi.3C14H16NSi.5Ir/c1-13(2)14(3)17-11-18(24-12-19(17)25(4,5)6)15-7-9-16(10-8-15)20(21,22)23;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;1-5-6-14-11-16(22-12-17(14)23(2,3)4)13-7-9-15(10-8-13)18(19,20)21;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*1-20(2,3)13-8-9-14(19-10-13)11-4-6-12(7-5-11)15(16,17)18;3*1-16(2,3)13-9-10-14(15-11-13)12-7-5-4-6-8-12;;;;;/h7,9-14H,1-6H3;7,9-13H,6H2,1-5H3;7,9-12H,5-6H2,1-4H3;6-9,12-14H,11H2,1-5H3;6-9,11-13H,1-5H3;2*4,6-10H,1-3H3;3*4-7,9-11H,1-3H3;;;;;/q10*-1;;;;;
InChIKeyBPYPNLLAJHPQMY-UHFFFAOYSA-N
XLogP42.57
TPSA128.90 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds29
Heavy Atoms204
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003831.33
LogP ≤ 542.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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;pentakis(iridium);trimethyl-[4-(3-methylbutan-2-yl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]silane;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane;tris(trimethyl-(6-phenyl-3-pyridinyl)silane);trimethyl-[4-propyl-6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]silane;bis(trimethyl-[6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]silane) with MolForge

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Launch Full Analysis

Related Compounds

4-Tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine;bis(2-(2,4-difluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine);iridium
CID 170518286
Bis(2-(2,4-difluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine);iridium;2-pyridin-2-ylpyridine
CID 170518302
Ru(II)(bpy)2(Mebpy-cyclam-Ni(II))
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
4-Methyl-2-(4-methyl-2-pyridinyl)pyridine;bis(2-pyridin-2-ylpyridine);ruthenium
CID 5494444
[Ir(dF[CF3]ppy)2(dtbbpy)]PF6
CID 60160592
Benzene;hexakis(2-[3,5-bis(trifluoromethyl)pyrrol-1-id-2-yl]pyridine);hexakis(copper(1+))
CID 139132391
Gross107 (Sudhakar)
CID 139174614
Tris(4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine);ruthenium
CID 170518310

Frequently Asked Questions

What is the IUPAC name of [4-butan-2-yl-6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;pentakis(iridium);trimethyl-[4-(3-methylbutan-2-yl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]silane;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane;tris(trimethyl-(6-phenyl-3-pyridinyl)silane);trimethyl-[4-propyl-6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]silane;bis(trimethyl-[6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]silane)?
The IUPAC name of [4-butan-2-yl-6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;pentakis(iridium);trimethyl-[4-(3-methylbutan-2-yl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]silane;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane;tris(trimethyl-(6-phenyl-3-pyridinyl)silane);trimethyl-[4-propyl-6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]silane;bis(trimethyl-[6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]silane) (CID 157102464) is [4-butan-2-yl-6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;pentakis(iridium);trimethyl-[4-(3-methylbutan-2-yl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]silane;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane;tris(trimethyl-(6-phenyl-3-pyridinyl)silane);trimethyl-[4-propyl-6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]silane;bis(trimethyl-[6-[4-(trifluoromethyl)benzene-6-id-1-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;pentakis(iridium);trimethyl-[4-(3-methylbutan-2-yl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]silane;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane;tris(trimethyl-(6-phenyl-3-pyridinyl)silane);trimethyl-[4-propyl-6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]silane;bis(trimethyl-[6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]silane)?
The canonical SMILES for [4-butan-2-yl-6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;pentakis(iridium);trimethyl-[4-(3-methylbutan-2-yl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]silane;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane;tris(trimethyl-(6-phenyl-3-pyridinyl)silane);trimethyl-[4-propyl-6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]silane;bis(trimethyl-[6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]silane) is CC(C)C(C)c1cc(-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.CCCc1cc(-c2[c-]cc(C(F)(F)F)cc2)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-]cccc2)nc1.C[Si](C)(C)c1ccc(-c2[c-]cccc2)nc1.C[Si](C)(C)c1ccc(-c2[c-]cccc2)nc1.[Ir].[Ir].[Ir].[Ir].[Ir].
What is the InChIKey of [4-butan-2-yl-6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;pentakis(iridium);trimethyl-[4-(3-methylbutan-2-yl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]silane;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane;tris(trimethyl-(6-phenyl-3-pyridinyl)silane);trimethyl-[4-propyl-6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]silane;bis(trimethyl-[6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]silane)?
The InChIKey is BPYPNLLAJHPQMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F3NSi.C19H23F3NSi.C18H21F3NSi.C18H24NSi.C17H22NSi.2C15H15F3NSi.3C14H16NSi.5Ir/c1-13(2)14(3)17-11-18(24-12-19(17)25(4,5)6)15-7-9-16(10-8-15)20(21,22)23;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;1-5-6-14-11-16(22-12-17(14)23(2,3)4)13-7-9-15(10-8-13)18(19,20)21;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*1-20(2,3)13-8-9-14(19-10-13)11-4-6-12(7-5-11)15(16,17)18;3*1-16(2,3)13-9-10-14(15-11-13)12-7-5-4-6-8-12;;;;;/h7,9-14H,1-6H3;7,9-13H,6H2,1-5H3;7,9-12H,5-6H2,1-4H3;6-9,12-14H,11H2,1-5H3;6-9,11-13H,1-5H3;2*4,6-10H,1-3H3;3*4-7,9-11H,1-3H3;;;;;/q10*-1;;;;;.
What are the key properties of [4-butan-2-yl-6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;pentakis(iridium);trimethyl-[4-(3-methylbutan-2-yl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]silane;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane;tris(trimethyl-(6-phenyl-3-pyridinyl)silane);trimethyl-[4-propyl-6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]silane;bis(trimethyl-[6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]silane)?
[4-butan-2-yl-6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;pentakis(iridium);trimethyl-[4-(3-methylbutan-2-yl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]silane;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane;tris(trimethyl-(6-phenyl-3-pyridinyl)silane);trimethyl-[4-propyl-6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]silane;bis(trimethyl-[6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]silane) has a molecular weight of 3831.33 g/mol, XLogP of 42.57, 29 rotatable bonds, 0 hydrogen bond donors, and 10 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;pentakis(iridium);trimethyl-[4-(3-methylbutan-2-yl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]silane;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane;tris(trimethyl-(6-phenyl-3-pyridinyl)silane);trimethyl-[4-propyl-6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]silane;bis(trimethyl-[6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]silane) is sourced from PubChem (CID 157102464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).