(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

C124H132F12Ir4N8Si4-8 — CID 158323965

IUPAC(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
SMILESCC(C)(C)Cc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.CC(C)C(C)c1cc(-c2[c-]cc(C(F)(F)F)cc2)ncc1[Si](C)(C)C.CC(c1cc(-c2[c-]cc(C(F)(F)F)cc2)ncc1[Si](C)(C)C)C(C)(C)C.CCCCc1cc(-c2[c-]cccc2)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/C21H27F3NSi.C20H25F3NSi.C19H26NSi.C18H24NSi.2C12H7F3N.2C11H8N.4Ir/c1-14(20(2,3)4)17-12-18(25-13-19(17)26(5,6)7)15-8-10-16(11-9-15)21(22,23)24;1-13(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;1-19(2,3)13-16-12-17(15-10-8-7-9-11-15)20-14-18(16)21(4,5)6;1-5-6-10-16-13-17(15-11-8-7-9-12-15)19-14-18(16)20(2,3)4;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;;;;/h8,10-14H,1-7H3;7,9-14H,1-6H3;7-10,12,14H,13H2,1-6H3;7-9,11,13-14H,5-6,10H2,1-4H3;2*1-4,6-8H;2*1-6,8-9H;;;;/q8*-1;;;;
InChIKeyZSMLIBGGWGBORH-UHFFFAOYSA-N
MW2843.66 g/mol
LogP33.48
Rot. Bonds19

About (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

(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 (PubChem CID 158323965) has the molecular formula C124H132F12Ir4N8Si4-8 and a molecular weight of 2843.66 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID158323965
Molecular FormulaC124H132F12Ir4N8Si4-8
Molecular Weight2843.66 g/mol
Exact Mass2844.80
IUPAC Name(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
SMILESCC(C)(C)Cc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.CC(C)C(C)c1cc(-c2[c-]cc(C(F)(F)F)cc2)ncc1[Si](C)(C)C.CC(c1cc(-c2[c-]cc(C(F)(F)F)cc2)ncc1[Si](C)(C)C)C(C)(C)C.CCCCc1cc(-c2[c-]cccc2)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/C21H27F3NSi.C20H25F3NSi.C19H26NSi.C18H24NSi.2C12H7F3N.2C11H8N.4Ir/c1-14(20(2,3)4)17-12-18(25-13-19(17)26(5,6)7)15-8-10-16(11-9-15)21(22,23)24;1-13(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;1-19(2,3)13-16-12-17(15-10-8-7-9-11-15)20-14-18(16)21(4,5)6;1-5-6-10-16-13-17(15-11-8-7-9-12-15)19-14-18(16)20(2,3)4;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;;;;/h8,10-14H,1-7H3;7,9-14H,1-6H3;7-10,12,14H,13H2,1-6H3;7-9,11,13-14H,5-6,10H2,1-4H3;2*1-4,6-8H;2*1-6,8-9H;;;;/q8*-1;;;;
InChIKeyZSMLIBGGWGBORH-UHFFFAOYSA-N
XLogP33.48
TPSA103.12 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds19
Heavy Atoms152
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002843.66
LogP ≤ 533.48
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-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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CC(C)(C)Cc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.CC(C)C(C)c1cc(-c2[c-]cc(C(F)(F)F)cc2)ncc1[Si](C)(C)C.CC(c1cc(-c2[c-]cc(C(F)(F)F)cc2)ncc1[Si](C)(C)C)C(C)(C)C.CCCCc1cc(-c2[c-]cccc2)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-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?
The InChIKey is ZSMLIBGGWGBORH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27F3NSi.C20H25F3NSi.C19H26NSi.C18H24NSi.2C12H7F3N.2C11H8N.4Ir/c1-14(20(2,3)4)17-12-18(25-13-19(17)26(5,6)7)15-8-10-16(11-9-15)21(22,23)24;1-13(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;1-19(2,3)13-16-12-17(15-10-8-7-9-11-15)20-14-18(16)21(4,5)6;1-5-6-10-16-13-17(15-11-8-7-9-12-15)19-14-18(16)20(2,3)4;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;;;;/h8,10-14H,1-7H3;7,9-14H,1-6H3;7-10,12,14H,13H2,1-6H3;7-9,11,13-14H,5-6,10H2,1-4H3;2*1-4,6-8H;2*1-6,8-9H;;;;/q8*-1;;;;.
What are the key properties of (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?
(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 has a molecular weight of 2843.66 g/mol, XLogP of 33.48, 19 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 158323965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).