[6-(5-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-1-yl]-trimethylsilane;[6-(5-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-2-yl]-trimethylsilane;[6-(5-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-3-yl]-trimethylsilane;[6-(5-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-4-yl]-trimethylsilane;tetrakis(iridium);tetrakis(2-phenyl-5-propan-2-ylpyridine)

C160H168Ir4N8S4Si4-8 — CID 158236370

IUPAC[6-(5-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-1-yl]-trimethylsilane;[6-(5-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-2-yl]-trimethylsilane;[6-(5-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-3-yl]-trimethylsilane;[6-(5-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-4-yl]-trimethylsilane;tetrakis(iridium);tetrakis(2-phenyl-5-propan-2-ylpyridine)
SMILESCC(C)c1ccc(-c2[c-]cccc2)nc1.CC(C)c1ccc(-c2[c-]cccc2)nc1.CC(C)c1ccc(-c2[c-]cccc2)nc1.CC(C)c1ccc(-c2[c-]cccc2)nc1.C[Si](C)(C)c1ccc2c(c1)sc1c(-c3ccc(C4CCCCC4)cn3)[c-]ccc12.C[Si](C)(C)c1ccc2sc3c(-c4ccc(C5CCCCC5)cn4)[c-]ccc3c2c1.C[Si](C)(C)c1cccc2c1sc1c(-c3ccc(C4CCCCC4)cn3)[c-]ccc12.C[Si](C)(C)c1cccc2sc3c(-c4ccc(C5CCCCC5)cn4)[c-]ccc3c12.[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/4C26H28NSSi.4C14H14N.4Ir/c1-29(2,3)24-14-8-12-21-20-11-7-13-22(25(20)28-26(21)24)23-16-15-19(17-27-23)18-9-5-4-6-10-18;1-29(2,3)24-14-8-13-23-25(24)21-12-7-11-20(26(21)28-23)22-16-15-19(17-27-22)18-9-5-4-6-10-18;1-29(2,3)20-13-14-21-22-10-7-11-23(26(22)28-25(21)16-20)24-15-12-19(17-27-24)18-8-5-4-6-9-18;1-29(2,3)20-13-15-25-23(16-20)21-10-7-11-22(26(21)28-25)24-14-12-19(17-27-24)18-8-5-4-6-9-18;4*1-11(2)13-8-9-14(15-10-13)12-6-4-3-5-7-12;;;;/h7-8,11-12,14-18H,4-6,9-10H2,1-3H3;7-8,12-18H,4-6,9-10H2,1-3H3;2*7,10,12-18H,4-6,8-9H2,1-3H3;4*3-6,8-11H,1-2H3;;;;/q8*-1;;;;
InChIKeyUVEHTMJCIGZHQV-UHFFFAOYSA-N
MW3212.64 g/mol
LogP44.72
Rot. Bonds20

About [6-(5-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-1-yl]-trimethylsilane;[6-(5-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-2-yl]-trimethylsilane;[6-(5-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-3-yl]-trimethylsilane;[6-(5-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-4-yl]-trimethylsilane;tetrakis(iridium);tetrakis(2-phenyl-5-propan-2-ylpyridine)

[6-(5-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-1-yl]-trimethylsilane;[6-(5-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-2-yl]-trimethylsilane;[6-(5-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-3-yl]-trimethylsilane;[6-(5-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-4-yl]-trimethylsilane;tetrakis(iridium);tetrakis(2-phenyl-5-propan-2-ylpyridine) (PubChem CID 158236370) has the molecular formula C160H168Ir4N8S4Si4-8 and a molecular weight of 3212.64 g/mol. Its IUPAC name is [6-(5-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-1-yl]-trimethylsilane;[6-(5-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-2-yl]-trimethylsilane;[6-(5-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-3-yl]-trimethylsilane;[6-(5-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-4-yl]-trimethylsilane;tetrakis(iridium);tetrakis(2-phenyl-5-propan-2-ylpyridine).

Molecular Properties

Compound Name[6-(5-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-1-yl]-trimethylsilane;[6-(5-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-2-yl]-trimethylsilane;[6-(5-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-3-yl]-trimethylsilane;[6-(5-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-4-yl]-trimethylsilane;tetrakis(iridium);tetrakis(2-phenyl-5-propan-2-ylpyridine)
PubChem CID158236370
Molecular FormulaC160H168Ir4N8S4Si4-8
Molecular Weight3212.64 g/mol
Exact Mass3212.99
IUPAC Name[6-(5-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-1-yl]-trimethylsilane;[6-(5-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-2-yl]-trimethylsilane;[6-(5-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-3-yl]-trimethylsilane;[6-(5-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-4-yl]-trimethylsilane;tetrakis(iridium);tetrakis(2-phenyl-5-propan-2-ylpyridine)
SMILESCC(C)c1ccc(-c2[c-]cccc2)nc1.CC(C)c1ccc(-c2[c-]cccc2)nc1.CC(C)c1ccc(-c2[c-]cccc2)nc1.CC(C)c1ccc(-c2[c-]cccc2)nc1.C[Si](C)(C)c1ccc2c(c1)sc1c(-c3ccc(C4CCCCC4)cn3)[c-]ccc12.C[Si](C)(C)c1ccc2sc3c(-c4ccc(C5CCCCC5)cn4)[c-]ccc3c2c1.C[Si](C)(C)c1cccc2c1sc1c(-c3ccc(C4CCCCC4)cn3)[c-]ccc12.C[Si](C)(C)c1cccc2sc3c(-c4ccc(C5CCCCC5)cn4)[c-]ccc3c12.[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/4C26H28NSSi.4C14H14N.4Ir/c1-29(2,3)24-14-8-12-21-20-11-7-13-22(25(20)28-26(21)24)23-16-15-19(17-27-23)18-9-5-4-6-10-18;1-29(2,3)24-14-8-13-23-25(24)21-12-7-11-20(26(21)28-23)22-16-15-19(17-27-22)18-9-5-4-6-10-18;1-29(2,3)20-13-14-21-22-10-7-11-23(26(22)28-25(21)16-20)24-15-12-19(17-27-24)18-8-5-4-6-9-18;1-29(2,3)20-13-15-25-23(16-20)21-10-7-11-22(26(21)28-25)24-14-12-19(17-27-24)18-8-5-4-6-9-18;4*1-11(2)13-8-9-14(15-10-13)12-6-4-3-5-7-12;;;;/h7-8,11-12,14-18H,4-6,9-10H2,1-3H3;7-8,12-18H,4-6,9-10H2,1-3H3;2*7,10,12-18H,4-6,8-9H2,1-3H3;4*3-6,8-11H,1-2H3;;;;/q8*-1;;;;
InChIKeyUVEHTMJCIGZHQV-UHFFFAOYSA-N
XLogP44.72
TPSA103.12 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds20
Heavy Atoms180
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003212.64
LogP ≤ 544.72
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 [6-(5-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-1-yl]-trimethylsilane;[6-(5-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-2-yl]-trimethylsilane;[6-(5-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-3-yl]-trimethylsilane;[6-(5-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-4-yl]-trimethylsilane;tetrakis(iridium);tetrakis(2-phenyl-5-propan-2-ylpyridine) with MolForge

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Frequently Asked Questions

What is the IUPAC name of [6-(5-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-1-yl]-trimethylsilane;[6-(5-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-2-yl]-trimethylsilane;[6-(5-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-3-yl]-trimethylsilane;[6-(5-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-4-yl]-trimethylsilane;tetrakis(iridium);tetrakis(2-phenyl-5-propan-2-ylpyridine)?
The IUPAC name of [6-(5-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-1-yl]-trimethylsilane;[6-(5-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-2-yl]-trimethylsilane;[6-(5-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-3-yl]-trimethylsilane;[6-(5-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-4-yl]-trimethylsilane;tetrakis(iridium);tetrakis(2-phenyl-5-propan-2-ylpyridine) (CID 158236370) is [6-(5-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-1-yl]-trimethylsilane;[6-(5-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-2-yl]-trimethylsilane;[6-(5-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-3-yl]-trimethylsilane;[6-(5-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-4-yl]-trimethylsilane;tetrakis(iridium);tetrakis(2-phenyl-5-propan-2-ylpyridine).
What is the SMILES notation for [6-(5-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-1-yl]-trimethylsilane;[6-(5-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-2-yl]-trimethylsilane;[6-(5-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-3-yl]-trimethylsilane;[6-(5-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-4-yl]-trimethylsilane;tetrakis(iridium);tetrakis(2-phenyl-5-propan-2-ylpyridine)?
The canonical SMILES for [6-(5-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-1-yl]-trimethylsilane;[6-(5-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-2-yl]-trimethylsilane;[6-(5-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-3-yl]-trimethylsilane;[6-(5-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-4-yl]-trimethylsilane;tetrakis(iridium);tetrakis(2-phenyl-5-propan-2-ylpyridine) is CC(C)c1ccc(-c2[c-]cccc2)nc1.CC(C)c1ccc(-c2[c-]cccc2)nc1.CC(C)c1ccc(-c2[c-]cccc2)nc1.CC(C)c1ccc(-c2[c-]cccc2)nc1.C[Si](C)(C)c1ccc2c(c1)sc1c(-c3ccc(C4CCCCC4)cn3)[c-]ccc12.C[Si](C)(C)c1ccc2sc3c(-c4ccc(C5CCCCC5)cn4)[c-]ccc3c2c1.C[Si](C)(C)c1cccc2c1sc1c(-c3ccc(C4CCCCC4)cn3)[c-]ccc12.C[Si](C)(C)c1cccc2sc3c(-c4ccc(C5CCCCC5)cn4)[c-]ccc3c12.[Ir].[Ir].[Ir].[Ir].
What is the InChIKey of [6-(5-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-1-yl]-trimethylsilane;[6-(5-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-2-yl]-trimethylsilane;[6-(5-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-3-yl]-trimethylsilane;[6-(5-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-4-yl]-trimethylsilane;tetrakis(iridium);tetrakis(2-phenyl-5-propan-2-ylpyridine)?
The InChIKey is UVEHTMJCIGZHQV-UHFFFAOYSA-N. The full InChI is InChI=1S/4C26H28NSSi.4C14H14N.4Ir/c1-29(2,3)24-14-8-12-21-20-11-7-13-22(25(20)28-26(21)24)23-16-15-19(17-27-23)18-9-5-4-6-10-18;1-29(2,3)24-14-8-13-23-25(24)21-12-7-11-20(26(21)28-23)22-16-15-19(17-27-22)18-9-5-4-6-10-18;1-29(2,3)20-13-14-21-22-10-7-11-23(26(22)28-25(21)16-20)24-15-12-19(17-27-24)18-8-5-4-6-9-18;1-29(2,3)20-13-15-25-23(16-20)21-10-7-11-22(26(21)28-25)24-14-12-19(17-27-24)18-8-5-4-6-9-18;4*1-11(2)13-8-9-14(15-10-13)12-6-4-3-5-7-12;;;;/h7-8,11-12,14-18H,4-6,9-10H2,1-3H3;7-8,12-18H,4-6,9-10H2,1-3H3;2*7,10,12-18H,4-6,8-9H2,1-3H3;4*3-6,8-11H,1-2H3;;;;/q8*-1;;;;.
What are the key properties of [6-(5-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-1-yl]-trimethylsilane;[6-(5-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-2-yl]-trimethylsilane;[6-(5-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-3-yl]-trimethylsilane;[6-(5-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-4-yl]-trimethylsilane;tetrakis(iridium);tetrakis(2-phenyl-5-propan-2-ylpyridine)?
[6-(5-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-1-yl]-trimethylsilane;[6-(5-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-2-yl]-trimethylsilane;[6-(5-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-3-yl]-trimethylsilane;[6-(5-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-4-yl]-trimethylsilane;tetrakis(iridium);tetrakis(2-phenyl-5-propan-2-ylpyridine) has a molecular weight of 3212.64 g/mol, XLogP of 44.72, 20 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(5-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-1-yl]-trimethylsilane;[6-(5-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-2-yl]-trimethylsilane;[6-(5-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-3-yl]-trimethylsilane;[6-(5-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-4-yl]-trimethylsilane;tetrakis(iridium);tetrakis(2-phenyl-5-propan-2-ylpyridine) is sourced from PubChem (CID 158236370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).