[4-(4-cyclohexyl-2-pyridinyl)-3H-dibenzothiophen-3-id-1-yl]-trimethylsilane;[6-(4-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-1-yl]-trimethylsilane;[6-(4-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-2-yl]-trimethylsilane;tetrakis(iridium);tris(5-methyl-2-phenylpyridine);2-phenyl-5-(trideuteriomethyl)pyridine;trimethyl-[6-(5-methyl-2-pyridinyl)-7H-dibenzothiophen-7-id-4-yl]silane

C147H144Ir4N8S4Si4-8 — CID 157052863

IUPAC[4-(4-cyclohexyl-2-pyridinyl)-3H-dibenzothiophen-3-id-1-yl]-trimethylsilane;[6-(4-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-1-yl]-trimethylsilane;[6-(4-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-2-yl]-trimethylsilane;tetrakis(iridium);tris(5-methyl-2-phenylpyridine);2-phenyl-5-(trideuteriomethyl)pyridine;trimethyl-[6-(5-methyl-2-pyridinyl)-7H-dibenzothiophen-7-id-4-yl]silane
SMILESC[Si](C)(C)c1c[c-]c(-c2cc(C3CCCCC3)ccn2)c2sc3ccccc3c12.C[Si](C)(C)c1ccc2sc3c(-c4cc(C5CCCCC5)ccn4)[c-]ccc3c2c1.C[Si](C)(C)c1cccc2sc3c(-c4cc(C5CCCCC5)ccn4)[c-]ccc3c12.Cc1ccc(-c2[c-]ccc3c2sc2c([Si](C)(C)C)cccc23)nc1.Cc1ccc(-c2[c-]cccc2)nc1.Cc1ccc(-c2[c-]cccc2)nc1.Cc1ccc(-c2[c-]cccc2)nc1.[2H]C([2H])([2H])c1ccc(-c2[c-]cccc2)nc1.[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/3C26H28NSSi.C21H20NSSi.4C12H10N.4Ir/c1-29(2,3)24-14-8-13-23-25(24)21-12-7-11-20(26(21)28-23)22-17-19(15-16-27-22)18-9-5-4-6-10-18;1-29(2,3)24-14-13-20(26-25(24)21-11-7-8-12-23(21)28-26)22-17-19(15-16-27-22)18-9-5-4-6-10-18;1-29(2,3)20-12-13-25-23(17-20)21-10-7-11-22(26(21)28-25)24-16-19(14-15-27-24)18-8-5-4-6-9-18;1-14-11-12-18(22-13-14)17-9-5-7-15-16-8-6-10-19(24(2,3)4)21(16)23-20(15)17;4*1-10-7-8-12(13-9-10)11-5-3-2-4-6-11;;;;/h7-8,12-18H,4-6,9-10H2,1-3H3;7-8,11-12,14-18H,4-6,9-10H2,1-3H3;7,10,12-18H,4-6,8-9H2,1-3H3;5-8,10-13H,1-4H3;4*2-5,7-9H,1H3;;;;/q8*-1;;;;/i;;;;1D3;;;;;;;
InChIKeyWZSOZHMLIGRPFL-WQAQYZOTSA-N
MW3035.32 g/mol
LogP39.72
Rot. Bonds16

About [4-(4-cyclohexyl-2-pyridinyl)-3H-dibenzothiophen-3-id-1-yl]-trimethylsilane;[6-(4-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-1-yl]-trimethylsilane;[6-(4-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-2-yl]-trimethylsilane;tetrakis(iridium);tris(5-methyl-2-phenylpyridine);2-phenyl-5-(trideuteriomethyl)pyridine;trimethyl-[6-(5-methyl-2-pyridinyl)-7H-dibenzothiophen-7-id-4-yl]silane

[4-(4-cyclohexyl-2-pyridinyl)-3H-dibenzothiophen-3-id-1-yl]-trimethylsilane;[6-(4-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-1-yl]-trimethylsilane;[6-(4-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-2-yl]-trimethylsilane;tetrakis(iridium);tris(5-methyl-2-phenylpyridine);2-phenyl-5-(trideuteriomethyl)pyridine;trimethyl-[6-(5-methyl-2-pyridinyl)-7H-dibenzothiophen-7-id-4-yl]silane (PubChem CID 157052863) has the molecular formula C147H144Ir4N8S4Si4-8 and a molecular weight of 3035.32 g/mol. Its IUPAC name is [4-(4-cyclohexyl-2-pyridinyl)-3H-dibenzothiophen-3-id-1-yl]-trimethylsilane;[6-(4-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-1-yl]-trimethylsilane;[6-(4-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-2-yl]-trimethylsilane;tetrakis(iridium);tris(5-methyl-2-phenylpyridine);2-phenyl-5-(trideuteriomethyl)pyridine;trimethyl-[6-(5-methyl-2-pyridinyl)-7H-dibenzothiophen-7-id-4-yl]silane.

Molecular Properties

Compound Name[4-(4-cyclohexyl-2-pyridinyl)-3H-dibenzothiophen-3-id-1-yl]-trimethylsilane;[6-(4-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-1-yl]-trimethylsilane;[6-(4-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-2-yl]-trimethylsilane;tetrakis(iridium);tris(5-methyl-2-phenylpyridine);2-phenyl-5-(trideuteriomethyl)pyridine;trimethyl-[6-(5-methyl-2-pyridinyl)-7H-dibenzothiophen-7-id-4-yl]silane
PubChem CID157052863
Molecular FormulaC147H144Ir4N8S4Si4-8
Molecular Weight3035.32 g/mol
Exact Mass3035.82
IUPAC Name[4-(4-cyclohexyl-2-pyridinyl)-3H-dibenzothiophen-3-id-1-yl]-trimethylsilane;[6-(4-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-1-yl]-trimethylsilane;[6-(4-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-2-yl]-trimethylsilane;tetrakis(iridium);tris(5-methyl-2-phenylpyridine);2-phenyl-5-(trideuteriomethyl)pyridine;trimethyl-[6-(5-methyl-2-pyridinyl)-7H-dibenzothiophen-7-id-4-yl]silane
SMILESC[Si](C)(C)c1c[c-]c(-c2cc(C3CCCCC3)ccn2)c2sc3ccccc3c12.C[Si](C)(C)c1ccc2sc3c(-c4cc(C5CCCCC5)ccn4)[c-]ccc3c2c1.C[Si](C)(C)c1cccc2sc3c(-c4cc(C5CCCCC5)ccn4)[c-]ccc3c12.Cc1ccc(-c2[c-]ccc3c2sc2c([Si](C)(C)C)cccc23)nc1.Cc1ccc(-c2[c-]cccc2)nc1.Cc1ccc(-c2[c-]cccc2)nc1.Cc1ccc(-c2[c-]cccc2)nc1.[2H]C([2H])([2H])c1ccc(-c2[c-]cccc2)nc1.[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/3C26H28NSSi.C21H20NSSi.4C12H10N.4Ir/c1-29(2,3)24-14-8-13-23-25(24)21-12-7-11-20(26(21)28-23)22-17-19(15-16-27-22)18-9-5-4-6-10-18;1-29(2,3)24-14-13-20(26-25(24)21-11-7-8-12-23(21)28-26)22-17-19(15-16-27-22)18-9-5-4-6-10-18;1-29(2,3)20-12-13-25-23(17-20)21-10-7-11-22(26(21)28-25)24-16-19(14-15-27-24)18-8-5-4-6-9-18;1-14-11-12-18(22-13-14)17-9-5-7-15-16-8-6-10-19(24(2,3)4)21(16)23-20(15)17;4*1-10-7-8-12(13-9-10)11-5-3-2-4-6-11;;;;/h7-8,12-18H,4-6,9-10H2,1-3H3;7-8,11-12,14-18H,4-6,9-10H2,1-3H3;7,10,12-18H,4-6,8-9H2,1-3H3;5-8,10-13H,1-4H3;4*2-5,7-9H,1H3;;;;/q8*-1;;;;/i;;;;1D3;;;;;;;
InChIKeyWZSOZHMLIGRPFL-WQAQYZOTSA-N
XLogP39.72
TPSA103.12 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds16
Heavy Atoms167
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003035.32
LogP ≤ 539.72
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-(4-cyclohexyl-2-pyridinyl)-3H-dibenzothiophen-3-id-1-yl]-trimethylsilane;[6-(4-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-1-yl]-trimethylsilane;[6-(4-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-2-yl]-trimethylsilane;tetrakis(iridium);tris(5-methyl-2-phenylpyridine);2-phenyl-5-(trideuteriomethyl)pyridine;trimethyl-[6-(5-methyl-2-pyridinyl)-7H-dibenzothiophen-7-id-4-yl]silane with MolForge

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Related Compounds

[4-(2-Adamantylmethyl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;[4-(cyclohexylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;(4-ethyl-6-phenyl-3-pyridinyl)-methyl-bis(trideuteriomethyl)silane;pentakis(iridium);tetrakis(2-phenylpyridine);2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine;trimethyl-[6-phenyl-4-[2,3,3,3-tetradeuterio-2-(trideuteriomethyl)propyl]-3-pyridinyl]silane;trimethyl-[6-phenyl-4-(2,2,2-trideuterioethyl)-3-pyridinyl]silane
CID 157977197
(4-Cyclopentyl-6-phenyl-3-pyridinyl)-trimethylsilane;pentakis(iridium);trimethyl-[5-methyl-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane;trimethyl-[4-(2-methylpropyl)-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane;tetrakis(trimethyl-(2-phenyl-4-pyridinyl)silane);trimethyl-[6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]silane
CID 158019533
[4-(2-Adamantylmethyl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;(4-ethyl-6-phenyl-3-pyridinyl)-methyl-bis(trideuteriomethyl)silane;tetrakis(iridium);tetrakis(2-phenylpyridine);trimethyl-[6-phenyl-4-[2,3,3,3-tetradeuterio-2-(trideuteriomethyl)propyl]-3-pyridinyl]silane;trimethyl-[6-phenyl-4-(2,2,2-trideuterioethyl)-3-pyridinyl]silane
CID 159824524
bis(chloroiridium(2+));tetrakis(2-[5-methyl-4-[2-(5-methyl-2-pyridin-2-yl-3H-thiophen-3-id-4-yl)cyclopenten-1-yl]thiophen-2-yl]pyridine)
CID 139253304
4-[5-(5-octylthiophen-2-yl)thiophen-2-yl]-2-[4-[5-(5-octylthiophen-2-yl)thiophen-2-yl]-2-pyridinyl]pyridine;4-[(E)-prop-1-enyl]-2-[4-[(E)-prop-1-enyl]-2-pyridinyl]pyridine;ruthenium(2+);diisothiocyanate
CID 57827851
4-[5-(5-Hexylthiophen-2-yl)thiophen-2-yl]-2-[3-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]benzene-6-id-1-yl]pyridine;4-methyl-2,6-bis(4-methyl-2-pyridinyl)pyridine;ruthenium(2+);isothiocyanate
CID 58321418
2-(3-Hexyl-4-methylbenzene-6-id-1-yl)-5-(3-hexyl-5-methylthiophen-2-yl)pyridine;iridium(3+);bis(2-phenylpyridine)
CID 58914262
2-(3H-dibenzothiophen-3-id-4-yl)-4-methylpyridine;iridium(3+);bis(2-methyl-6-phenylpyridine)
CID 59500148
2-(2H-dibenzothiophen-2-id-3-yl)-5-methylpyridine;iridium(3+);bis(2-methyl-6-phenylpyridine)
CID 59500153
2-(2H-dibenzothiophen-2-id-3-yl)pyridine;iridium(3+);bis(2-phenylpyridine)
CID 59500162
2-(3H-dibenzothiophen-3-id-4-yl)pyridine;iridium(3+);bis(2-methyl-6-phenylpyridine)
CID 59500173
2-(3H-dibenzothiophen-3-id-2-yl)-4-methylpyridine;iridium(3+);bis(2-methyl-6-phenylpyridine)
CID 59500182

Frequently Asked Questions

What is the IUPAC name of [4-(4-cyclohexyl-2-pyridinyl)-3H-dibenzothiophen-3-id-1-yl]-trimethylsilane;[6-(4-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-1-yl]-trimethylsilane;[6-(4-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-2-yl]-trimethylsilane;tetrakis(iridium);tris(5-methyl-2-phenylpyridine);2-phenyl-5-(trideuteriomethyl)pyridine;trimethyl-[6-(5-methyl-2-pyridinyl)-7H-dibenzothiophen-7-id-4-yl]silane?
The IUPAC name of [4-(4-cyclohexyl-2-pyridinyl)-3H-dibenzothiophen-3-id-1-yl]-trimethylsilane;[6-(4-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-1-yl]-trimethylsilane;[6-(4-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-2-yl]-trimethylsilane;tetrakis(iridium);tris(5-methyl-2-phenylpyridine);2-phenyl-5-(trideuteriomethyl)pyridine;trimethyl-[6-(5-methyl-2-pyridinyl)-7H-dibenzothiophen-7-id-4-yl]silane (CID 157052863) is [4-(4-cyclohexyl-2-pyridinyl)-3H-dibenzothiophen-3-id-1-yl]-trimethylsilane;[6-(4-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-1-yl]-trimethylsilane;[6-(4-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-2-yl]-trimethylsilane;tetrakis(iridium);tris(5-methyl-2-phenylpyridine);2-phenyl-5-(trideuteriomethyl)pyridine;trimethyl-[6-(5-methyl-2-pyridinyl)-7H-dibenzothiophen-7-id-4-yl]silane.
What is the SMILES notation for [4-(4-cyclohexyl-2-pyridinyl)-3H-dibenzothiophen-3-id-1-yl]-trimethylsilane;[6-(4-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-1-yl]-trimethylsilane;[6-(4-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-2-yl]-trimethylsilane;tetrakis(iridium);tris(5-methyl-2-phenylpyridine);2-phenyl-5-(trideuteriomethyl)pyridine;trimethyl-[6-(5-methyl-2-pyridinyl)-7H-dibenzothiophen-7-id-4-yl]silane?
The canonical SMILES for [4-(4-cyclohexyl-2-pyridinyl)-3H-dibenzothiophen-3-id-1-yl]-trimethylsilane;[6-(4-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-1-yl]-trimethylsilane;[6-(4-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-2-yl]-trimethylsilane;tetrakis(iridium);tris(5-methyl-2-phenylpyridine);2-phenyl-5-(trideuteriomethyl)pyridine;trimethyl-[6-(5-methyl-2-pyridinyl)-7H-dibenzothiophen-7-id-4-yl]silane is C[Si](C)(C)c1c[c-]c(-c2cc(C3CCCCC3)ccn2)c2sc3ccccc3c12.C[Si](C)(C)c1ccc2sc3c(-c4cc(C5CCCCC5)ccn4)[c-]ccc3c2c1.C[Si](C)(C)c1cccc2sc3c(-c4cc(C5CCCCC5)ccn4)[c-]ccc3c12.Cc1ccc(-c2[c-]ccc3c2sc2c([Si](C)(C)C)cccc23)nc1.Cc1ccc(-c2[c-]cccc2)nc1.Cc1ccc(-c2[c-]cccc2)nc1.Cc1ccc(-c2[c-]cccc2)nc1.[2H]C([2H])([2H])c1ccc(-c2[c-]cccc2)nc1.[Ir].[Ir].[Ir].[Ir].
What is the InChIKey of [4-(4-cyclohexyl-2-pyridinyl)-3H-dibenzothiophen-3-id-1-yl]-trimethylsilane;[6-(4-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-1-yl]-trimethylsilane;[6-(4-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-2-yl]-trimethylsilane;tetrakis(iridium);tris(5-methyl-2-phenylpyridine);2-phenyl-5-(trideuteriomethyl)pyridine;trimethyl-[6-(5-methyl-2-pyridinyl)-7H-dibenzothiophen-7-id-4-yl]silane?
The InChIKey is WZSOZHMLIGRPFL-WQAQYZOTSA-N. The full InChI is InChI=1S/3C26H28NSSi.C21H20NSSi.4C12H10N.4Ir/c1-29(2,3)24-14-8-13-23-25(24)21-12-7-11-20(26(21)28-23)22-17-19(15-16-27-22)18-9-5-4-6-10-18;1-29(2,3)24-14-13-20(26-25(24)21-11-7-8-12-23(21)28-26)22-17-19(15-16-27-22)18-9-5-4-6-10-18;1-29(2,3)20-12-13-25-23(17-20)21-10-7-11-22(26(21)28-25)24-16-19(14-15-27-24)18-8-5-4-6-9-18;1-14-11-12-18(22-13-14)17-9-5-7-15-16-8-6-10-19(24(2,3)4)21(16)23-20(15)17;4*1-10-7-8-12(13-9-10)11-5-3-2-4-6-11;;;;/h7-8,12-18H,4-6,9-10H2,1-3H3;7-8,11-12,14-18H,4-6,9-10H2,1-3H3;7,10,12-18H,4-6,8-9H2,1-3H3;5-8,10-13H,1-4H3;4*2-5,7-9H,1H3;;;;/q8*-1;;;;/i;;;;1D3;;;;;;;.
What are the key properties of [4-(4-cyclohexyl-2-pyridinyl)-3H-dibenzothiophen-3-id-1-yl]-trimethylsilane;[6-(4-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-1-yl]-trimethylsilane;[6-(4-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-2-yl]-trimethylsilane;tetrakis(iridium);tris(5-methyl-2-phenylpyridine);2-phenyl-5-(trideuteriomethyl)pyridine;trimethyl-[6-(5-methyl-2-pyridinyl)-7H-dibenzothiophen-7-id-4-yl]silane?
[4-(4-cyclohexyl-2-pyridinyl)-3H-dibenzothiophen-3-id-1-yl]-trimethylsilane;[6-(4-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-1-yl]-trimethylsilane;[6-(4-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-2-yl]-trimethylsilane;tetrakis(iridium);tris(5-methyl-2-phenylpyridine);2-phenyl-5-(trideuteriomethyl)pyridine;trimethyl-[6-(5-methyl-2-pyridinyl)-7H-dibenzothiophen-7-id-4-yl]silane has a molecular weight of 3035.32 g/mol, XLogP of 39.72, 16 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-cyclohexyl-2-pyridinyl)-3H-dibenzothiophen-3-id-1-yl]-trimethylsilane;[6-(4-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-1-yl]-trimethylsilane;[6-(4-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-2-yl]-trimethylsilane;tetrakis(iridium);tris(5-methyl-2-phenylpyridine);2-phenyl-5-(trideuteriomethyl)pyridine;trimethyl-[6-(5-methyl-2-pyridinyl)-7H-dibenzothiophen-7-id-4-yl]silane is sourced from PubChem (CID 157052863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).