[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

C131H121Ir3N9Si3-6 — CID 159734679

IUPAC[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
SMILESCc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.Cc1cc[c-]c(-c2cc(C(C)(C)C)c([Si](C)(C)C)cn2)c1.Cc1cc[c-]c(-c2cc(C)c([Si](C)(C)C)cn2)c1.[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
InChIInChI=1S/3C27H19N2.C19H26NSi.C16H20NSi.C15H18NSi.3Ir/c3*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;1-14-9-8-10-15(11-14)17-12-16(19(2,3)4)18(13-20-17)21(5,6)7;1-12-7-6-8-14(9-12)15-10-13(2)16(11-17-15)18(3,4)5;1-12-10-14(13-8-6-5-7-9-13)16-11-15(12)17(2,3)4;;;/h3*1-13,15-18,22,26H;8-9,11-13H,1-7H3;6-7,9-11H,1-5H3;5-8,10-11H,1-4H3;;;/q6*-1;;;
InChIKeyWQKNYRICBKTRHE-UHFFFAOYSA-N
MW2482.38 g/mol
LogP31.10
Rot. Bonds12

About [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

[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 (PubChem CID 159734679) has the molecular formula C131H121Ir3N9Si3-6 and a molecular weight of 2482.38 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID159734679
Molecular FormulaC131H121Ir3N9Si3-6
Molecular Weight2482.38 g/mol
Exact Mass2482.80
IUPAC Name[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
SMILESCc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.Cc1cc[c-]c(-c2cc(C(C)(C)C)c([Si](C)(C)C)cn2)c1.Cc1cc[c-]c(-c2cc(C)c([Si](C)(C)C)cn2)c1.[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
InChIInChI=1S/3C27H19N2.C19H26NSi.C16H20NSi.C15H18NSi.3Ir/c3*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;1-14-9-8-10-15(11-14)17-12-16(19(2,3)4)18(13-20-17)21(5,6)7;1-12-7-6-8-14(9-12)15-10-13(2)16(11-17-15)18(3,4)5;1-12-10-14(13-8-6-5-7-9-13)16-11-15(12)17(2,3)4;;;/h3*1-13,15-18,22,26H;8-9,11-13H,1-7H3;6-7,9-11H,1-5H3;5-8,10-11H,1-4H3;;;/q6*-1;;;
InChIKeyWQKNYRICBKTRHE-UHFFFAOYSA-N
XLogP31.10
TPSA87.06 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms146
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002482.38
LogP ≤ 531.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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;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 with MolForge

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Related Compounds

[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
[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
[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
2-(4-tert-butylbenzene-6-id-1-yl)-6-ethenylquinoline;2-(3,4-dimethylbenzene-6-id-1-yl)-6-ethenylquinoline;2-(3-ethenylbenzene-6-id-1-yl)-6-methylquinoline;2-(4-ethenylbenzene-6-id-1-yl)quinoline;tetrakis(iridium);tetrakis(2-phenylpyridine)
CID 158242903
carbanide;iridium;2-phenylquinoline;yttrium
CID 59824492
iridium;4-methyl-2-(8-phenyl-3H-dibenzothiophen-3-id-4-yl)pyridine;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane
CID 166573854
1-(2-tert-butylphenyl)-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole;iridium;trimethyl-[6-(3-methylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]silane
CID 156658590
3-methoxy-2,3-dimethylbutane-2-thiol;7-methyl-9-phenyl-4a,9a-dihydrocarbazole
CID 144661565
[3-tert-butyl-8-(4-methyl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-id-5-yl]-trimethylsilane;4,5-dimethyl-2-phenylpyridine;iridium
CID 164796904
iridium;1-phenyl-2-(3H-triphenylen-3-id-2-yl)benzimidazole;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
CID 164750058

Frequently Asked Questions

What is the IUPAC name of [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?
The IUPAC name of [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) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is Cc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.Cc1cc[c-]c(-c2cc(C(C)(C)C)c([Si](C)(C)C)cn2)c1.Cc1cc[c-]c(-c2cc(C)c([Si](C)(C)C)cn2)c1.[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.
What is the InChIKey of [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?
The InChIKey is WQKNYRICBKTRHE-UHFFFAOYSA-N. The full InChI is InChI=1S/3C27H19N2.C19H26NSi.C16H20NSi.C15H18NSi.3Ir/c3*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;1-14-9-8-10-15(11-14)17-12-16(19(2,3)4)18(13-20-17)21(5,6)7;1-12-7-6-8-14(9-12)15-10-13(2)16(11-17-15)18(3,4)5;1-12-10-14(13-8-6-5-7-9-13)16-11-15(12)17(2,3)4;;;/h3*1-13,15-18,22,26H;8-9,11-13H,1-7H3;6-7,9-11H,1-5H3;5-8,10-11H,1-4H3;;;/q6*-1;;;.
What are the key properties of [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?
[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 has a molecular weight of 2482.38 g/mol, XLogP of 31.10, 12 rotatable bonds, 0 hydrogen bond donors, and 9 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;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 is sourced from PubChem (CID 159734679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).