[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)

C143H130Ir4N12Si4-8 — CID 158139374

IUPAC[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)
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(-c2[c-]cccc2)ncc1[Si](C)(C)C.[C-]1=c2ccccc2=NC1c1ccc2ccccc2n1.[C-]1=c2ccccc2=NC1c1ccc2ccccc2n1.[C-]1=c2ccccc2=NC1c1ccc2ccccc2n1.[C-]1=c2ccccc2=NC1c1ccc2ccccc2n1.[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C24H28NSi.C21H22NSi.4C17H11N2.2C15H18NSi.4Ir/c1-24(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;4*1-3-7-14-12(5-1)9-10-16(18-14)17-11-13-6-2-4-8-15(13)19-17;2*1-12-10-14(13-8-6-5-7-9-13)16-11-15(12)17(2,3)4;;;;/h7-13,15-17H,1-6H3;5-11,13-15H,1-4H3;4*1-10,17H;2*5-8,10-11H,1-4H3;;;;/q8*-1;;;;
InChIKeyPIFSJIWMXDVGQF-UHFFFAOYSA-N
MW2897.91 g/mol
LogP26.99
Rot. Bonds14

About [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)

[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) (PubChem CID 158139374) has the molecular formula C143H130Ir4N12Si4-8 and a molecular weight of 2897.91 g/mol. Its IUPAC name is [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).

Molecular Properties

Compound Name[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)
PubChem CID158139374
Molecular FormulaC143H130Ir4N12Si4-8
Molecular Weight2897.91 g/mol
Exact Mass2898.82
IUPAC Name[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)
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(-c2[c-]cccc2)ncc1[Si](C)(C)C.[C-]1=c2ccccc2=NC1c1ccc2ccccc2n1.[C-]1=c2ccccc2=NC1c1ccc2ccccc2n1.[C-]1=c2ccccc2=NC1c1ccc2ccccc2n1.[C-]1=c2ccccc2=NC1c1ccc2ccccc2n1.[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C24H28NSi.C21H22NSi.4C17H11N2.2C15H18NSi.4Ir/c1-24(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;4*1-3-7-14-12(5-1)9-10-16(18-14)17-11-13-6-2-4-8-15(13)19-17;2*1-12-10-14(13-8-6-5-7-9-13)16-11-15(12)17(2,3)4;;;;/h7-13,15-17H,1-6H3;5-11,13-15H,1-4H3;4*1-10,17H;2*5-8,10-11H,1-4H3;;;;/q8*-1;;;;
InChIKeyPIFSJIWMXDVGQF-UHFFFAOYSA-N
XLogP26.99
TPSA152.56 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds14
Heavy Atoms163
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002897.91
LogP ≤ 526.99
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-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) with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of [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)?
The IUPAC name of [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) is [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).
What is the SMILES notation for [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)?
The canonical SMILES for [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) 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(-c2[c-]cccc2)ncc1[Si](C)(C)C.[C-]1=c2ccccc2=NC1c1ccc2ccccc2n1.[C-]1=c2ccccc2=NC1c1ccc2ccccc2n1.[C-]1=c2ccccc2=NC1c1ccc2ccccc2n1.[C-]1=c2ccccc2=NC1c1ccc2ccccc2n1.[Ir].[Ir].[Ir].[Ir].
What is the InChIKey of [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)?
The InChIKey is PIFSJIWMXDVGQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28NSi.C21H22NSi.4C17H11N2.2C15H18NSi.4Ir/c1-24(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;4*1-3-7-14-12(5-1)9-10-16(18-14)17-11-13-6-2-4-8-15(13)19-17;2*1-12-10-14(13-8-6-5-7-9-13)16-11-15(12)17(2,3)4;;;;/h7-13,15-17H,1-6H3;5-11,13-15H,1-4H3;4*1-10,17H;2*5-8,10-11H,1-4H3;;;;/q8*-1;;;;.
What are the key properties of [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)?
[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) has a molecular weight of 2897.91 g/mol, XLogP of 26.99, 14 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-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) is sourced from PubChem (CID 158139374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).