[4-tert-butyl-6-(3-methylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;[4-tert-butyl-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;tetrakis(iridium);tetrakis(9-phenyl-2-quinolin-2-yl-4b,8a-dihydro-3H-carbazol-3-ide);trimethyl-[4-methyl-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane

C187H170Ir4N12Si4-8 — CID 157084535

IUPAC[4-tert-butyl-6-(3-methylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;[4-tert-butyl-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;tetrakis(iridium);tetrakis(9-phenyl-2-quinolin-2-yl-4b,8a-dihydro-3H-carbazol-3-ide);trimethyl-[4-methyl-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane
SMILESCC(C)(C)c1cc(-c2[c-]ccc(-c3ccccc3)c2)ncc1[Si](C)(C)C.Cc1cc(-c2[c-]ccc(-c3ccccc3)c2)ncc1[Si](C)(C)C.Cc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.Cc1cc[c-]c(-c2cc(C(C)(C)C)c([Si](C)(C)C)cn2)c1.[Ir].[Ir].[Ir].[Ir].[c-]1cc2c(cc1-c1ccc3ccccc3n1)N(c1ccccc1)C1C=CC=CC21.[c-]1cc2c(cc1-c1ccc3ccccc3n1)N(c1ccccc1)C1C=CC=CC21.[c-]1cc2c(cc1-c1ccc3ccccc3n1)N(c1ccccc1)C1C=CC=CC21.[c-]1cc2c(cc1-c1ccc3ccccc3n1)N(c1ccccc1)C1C=CC=CC21
InChIInChI=1S/4C27H19N2.C24H28NSi.C21H22NSi.C19H26NSi.C15H18NSi.4Ir/c4*1-2-9-21(10-3-1)29-26-13-7-5-11-22(26)23-16-14-20(18-27(23)29)25-17-15-19-8-4-6-12-24(19)28-25;1-24(2,3)21-16-22(25-17-23(21)26(4,5)6)20-14-10-13-19(15-20)18-11-8-7-9-12-18;1-16-13-20(22-15-21(16)23(2,3)4)19-12-8-11-18(14-19)17-9-6-5-7-10-17;1-14-9-8-10-15(11-14)17-12-16(19(2,3)4)18(13-20-17)21(5,6)7;1-12-10-14(13-8-6-5-7-9-13)16-11-15(12)17(2,3)4;;;;/h4*1-13,15-18,22,26H;7-13,15-17H,1-6H3;5-11,13-15H,1-4H3;8-9,11-13H,1-7H3;5-8,10-11H,1-4H3;;;;/q8*-1;;;;
InChIKeyCVEYJRZFXYKERK-UHFFFAOYSA-N
MW3466.71 g/mol
LogP44.95
Rot. Bonds18

About [4-tert-butyl-6-(3-methylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;[4-tert-butyl-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;tetrakis(iridium);tetrakis(9-phenyl-2-quinolin-2-yl-4b,8a-dihydro-3H-carbazol-3-ide);trimethyl-[4-methyl-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane

[4-tert-butyl-6-(3-methylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;[4-tert-butyl-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;tetrakis(iridium);tetrakis(9-phenyl-2-quinolin-2-yl-4b,8a-dihydro-3H-carbazol-3-ide);trimethyl-[4-methyl-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane (PubChem CID 157084535) has the molecular formula C187H170Ir4N12Si4-8 and a molecular weight of 3466.71 g/mol. Its IUPAC name is [4-tert-butyl-6-(3-methylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;[4-tert-butyl-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;tetrakis(iridium);tetrakis(9-phenyl-2-quinolin-2-yl-4b,8a-dihydro-3H-carbazol-3-ide);trimethyl-[4-methyl-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane.

Molecular Properties

Compound Name[4-tert-butyl-6-(3-methylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;[4-tert-butyl-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;tetrakis(iridium);tetrakis(9-phenyl-2-quinolin-2-yl-4b,8a-dihydro-3H-carbazol-3-ide);trimethyl-[4-methyl-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane
PubChem CID157084535
Molecular FormulaC187H170Ir4N12Si4-8
Molecular Weight3466.71 g/mol
Exact Mass3467.13
IUPAC Name[4-tert-butyl-6-(3-methylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;[4-tert-butyl-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;tetrakis(iridium);tetrakis(9-phenyl-2-quinolin-2-yl-4b,8a-dihydro-3H-carbazol-3-ide);trimethyl-[4-methyl-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane
SMILESCC(C)(C)c1cc(-c2[c-]ccc(-c3ccccc3)c2)ncc1[Si](C)(C)C.Cc1cc(-c2[c-]ccc(-c3ccccc3)c2)ncc1[Si](C)(C)C.Cc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.Cc1cc[c-]c(-c2cc(C(C)(C)C)c([Si](C)(C)C)cn2)c1.[Ir].[Ir].[Ir].[Ir].[c-]1cc2c(cc1-c1ccc3ccccc3n1)N(c1ccccc1)C1C=CC=CC21.[c-]1cc2c(cc1-c1ccc3ccccc3n1)N(c1ccccc1)C1C=CC=CC21.[c-]1cc2c(cc1-c1ccc3ccccc3n1)N(c1ccccc1)C1C=CC=CC21.[c-]1cc2c(cc1-c1ccc3ccccc3n1)N(c1ccccc1)C1C=CC=CC21
InChIInChI=1S/4C27H19N2.C24H28NSi.C21H22NSi.C19H26NSi.C15H18NSi.4Ir/c4*1-2-9-21(10-3-1)29-26-13-7-5-11-22(26)23-16-14-20(18-27(23)29)25-17-15-19-8-4-6-12-24(19)28-25;1-24(2,3)21-16-22(25-17-23(21)26(4,5)6)20-14-10-13-19(15-20)18-11-8-7-9-12-18;1-16-13-20(22-15-21(16)23(2,3)4)19-12-8-11-18(14-19)17-9-6-5-7-10-17;1-14-9-8-10-15(11-14)17-12-16(19(2,3)4)18(13-20-17)21(5,6)7;1-12-10-14(13-8-6-5-7-9-13)16-11-15(12)17(2,3)4;;;;/h4*1-13,15-18,22,26H;7-13,15-17H,1-6H3;5-11,13-15H,1-4H3;8-9,11-13H,1-7H3;5-8,10-11H,1-4H3;;;;/q8*-1;;;;
InChIKeyCVEYJRZFXYKERK-UHFFFAOYSA-N
XLogP44.95
TPSA116.08 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds18
Heavy Atoms207
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003466.71
LogP ≤ 544.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze [4-tert-butyl-6-(3-methylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;[4-tert-butyl-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;tetrakis(iridium);tetrakis(9-phenyl-2-quinolin-2-yl-4b,8a-dihydro-3H-carbazol-3-ide);trimethyl-[4-methyl-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane with MolForge

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Related Compounds

[4-tert-butyl-6-(3-methylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;tris(iridium);tris(9-phenyl-2-quinolin-2-yl-4b,8a-dihydro-3H-carbazol-3-ide);trimethyl-[4-methyl-6-(3-methylbenzene-6-id-1-yl)-3-pyridinyl]silane;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane
CID 159734679
[4-tert-butyl-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;tetrakis(2-(2,3-dihydroindol-3-id-2-yl)quinoline);tetrakis(iridium);trimethyl-[4-methyl-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane;bis(trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane)
CID 158139374
[4-tert-butyl-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;tetrakis(iridium);tetrakis(2-(4-methylphenyl)-5-phenyl-1,3,4-oxadiazole);trimethyl-[4-methyl-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane;bis(trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane)
CID 158058991
bis([4-tert-butyl-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane);tris(2-(2H-dibenzofuran-2-id-3-yl)-5-phenyl-1,3,4-oxadiazole);tetrakis(iridium);2-(4-methylphenyl)-5-phenyl-1,3,4-oxadiazole;trimethyl-[4-methyl-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane
CID 158241269
iridium;4-methyl-2-(8-phenyl-3H-dibenzothiophen-3-id-4-yl)pyridine;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane
CID 166573854
[4-tert-butyl-6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-6-yl)-3-pyridinyl]-trimethylsilane;1-(1,1-dideuterio-2-methylpropyl)-2-phenylbenzimidazole;iridium
CID 170531721
4,5-dimethyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;1-[2,6-di(propan-2-yl)phenyl]-2-phenylbenzimidazole;iridium
CID 140599983
N,N-diphenyl-4-[4'-[4-(N-phenylanilino)phenyl]-9,9'-spirobi[fluorene]-4-yl]aniline;heptakis(iridium);1-phenylisoquinoline;pentakis(2-phenylpyridine);2-phenylquinoline;trimethyl-[4-methyl-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane;tetrakis(trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane);trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane;trimethyl-(4-phenyl-6-phenyl-3-pyridinyl)silane
CID 159945106
2-(3H-dibenzofuran-3-id-4-yl)-1-(4-phenylphenyl)benzimidazole;iridium;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane
CID 156659104
iridium;2-(7-naphthalen-1-yl-3H-dibenzofuran-3-id-2-yl)-4-phenylpyridine;trimethyl-[4-methyl-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane
CID 169039406
1-(4-tert-butylphenyl)-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-naphthalen-1-ylbenzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-naphthalen-2-ylbenzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-(4-phenylphenyl)benzimidazole;tetrakis(iridium);tetrakis(trimethyl-[4-methyl-6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]silane)
CID 163981947
8-[1-(2-tert-butyl-4-phenylphenyl)benzimidazol-2-yl]-2-phenyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
CID 156670947

Frequently Asked Questions

What is the IUPAC name of [4-tert-butyl-6-(3-methylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;[4-tert-butyl-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;tetrakis(iridium);tetrakis(9-phenyl-2-quinolin-2-yl-4b,8a-dihydro-3H-carbazol-3-ide);trimethyl-[4-methyl-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane?
The IUPAC name of [4-tert-butyl-6-(3-methylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;[4-tert-butyl-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;tetrakis(iridium);tetrakis(9-phenyl-2-quinolin-2-yl-4b,8a-dihydro-3H-carbazol-3-ide);trimethyl-[4-methyl-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane (CID 157084535) is [4-tert-butyl-6-(3-methylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;[4-tert-butyl-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;tetrakis(iridium);tetrakis(9-phenyl-2-quinolin-2-yl-4b,8a-dihydro-3H-carbazol-3-ide);trimethyl-[4-methyl-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane.
What is the SMILES notation for [4-tert-butyl-6-(3-methylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;[4-tert-butyl-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;tetrakis(iridium);tetrakis(9-phenyl-2-quinolin-2-yl-4b,8a-dihydro-3H-carbazol-3-ide);trimethyl-[4-methyl-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane?
The canonical SMILES for [4-tert-butyl-6-(3-methylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;[4-tert-butyl-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;tetrakis(iridium);tetrakis(9-phenyl-2-quinolin-2-yl-4b,8a-dihydro-3H-carbazol-3-ide);trimethyl-[4-methyl-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane is CC(C)(C)c1cc(-c2[c-]ccc(-c3ccccc3)c2)ncc1[Si](C)(C)C.Cc1cc(-c2[c-]ccc(-c3ccccc3)c2)ncc1[Si](C)(C)C.Cc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.Cc1cc[c-]c(-c2cc(C(C)(C)C)c([Si](C)(C)C)cn2)c1.[Ir].[Ir].[Ir].[Ir].[c-]1cc2c(cc1-c1ccc3ccccc3n1)N(c1ccccc1)C1C=CC=CC21.[c-]1cc2c(cc1-c1ccc3ccccc3n1)N(c1ccccc1)C1C=CC=CC21.[c-]1cc2c(cc1-c1ccc3ccccc3n1)N(c1ccccc1)C1C=CC=CC21.[c-]1cc2c(cc1-c1ccc3ccccc3n1)N(c1ccccc1)C1C=CC=CC21.
What is the InChIKey of [4-tert-butyl-6-(3-methylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;[4-tert-butyl-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;tetrakis(iridium);tetrakis(9-phenyl-2-quinolin-2-yl-4b,8a-dihydro-3H-carbazol-3-ide);trimethyl-[4-methyl-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane?
The InChIKey is CVEYJRZFXYKERK-UHFFFAOYSA-N. The full InChI is InChI=1S/4C27H19N2.C24H28NSi.C21H22NSi.C19H26NSi.C15H18NSi.4Ir/c4*1-2-9-21(10-3-1)29-26-13-7-5-11-22(26)23-16-14-20(18-27(23)29)25-17-15-19-8-4-6-12-24(19)28-25;1-24(2,3)21-16-22(25-17-23(21)26(4,5)6)20-14-10-13-19(15-20)18-11-8-7-9-12-18;1-16-13-20(22-15-21(16)23(2,3)4)19-12-8-11-18(14-19)17-9-6-5-7-10-17;1-14-9-8-10-15(11-14)17-12-16(19(2,3)4)18(13-20-17)21(5,6)7;1-12-10-14(13-8-6-5-7-9-13)16-11-15(12)17(2,3)4;;;;/h4*1-13,15-18,22,26H;7-13,15-17H,1-6H3;5-11,13-15H,1-4H3;8-9,11-13H,1-7H3;5-8,10-11H,1-4H3;;;;/q8*-1;;;;.
What are the key properties of [4-tert-butyl-6-(3-methylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;[4-tert-butyl-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;tetrakis(iridium);tetrakis(9-phenyl-2-quinolin-2-yl-4b,8a-dihydro-3H-carbazol-3-ide);trimethyl-[4-methyl-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane?
[4-tert-butyl-6-(3-methylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;[4-tert-butyl-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;tetrakis(iridium);tetrakis(9-phenyl-2-quinolin-2-yl-4b,8a-dihydro-3H-carbazol-3-ide);trimethyl-[4-methyl-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane has a molecular weight of 3466.71 g/mol, XLogP of 44.95, 18 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for [4-tert-butyl-6-(3-methylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;[4-tert-butyl-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;tetrakis(iridium);tetrakis(9-phenyl-2-quinolin-2-yl-4b,8a-dihydro-3H-carbazol-3-ide);trimethyl-[4-methyl-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane is sourced from PubChem (CID 157084535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).