[6-(5-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-3-yl]-trimethylsilane;[6-(5-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-4-yl]-trimethylsilane;[4-(5-cyclopentyl-2-pyridinyl)-3H-dibenzothiophen-3-id-1-yl]-trimethylsilane;[6-(5-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-1-yl]-trimethylsilane;tetrakis(iridium);tetrakis(5-methyl-2-phenylpyridine)

C150H148Ir4N8S4Si4-8 — CID 159075922

IUPAC[6-(5-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-3-yl]-trimethylsilane;[6-(5-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-4-yl]-trimethylsilane;[4-(5-cyclopentyl-2-pyridinyl)-3H-dibenzothiophen-3-id-1-yl]-trimethylsilane;[6-(5-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-1-yl]-trimethylsilane;tetrakis(iridium);tetrakis(5-methyl-2-phenylpyridine)
SMILESC[Si](C)(C)c1c[c-]c(-c2ccc(C3CCCC3)cn2)c2sc3ccccc3c12.C[Si](C)(C)c1ccc2c(c1)sc1c(-c3ccc(C4CCCCC4)cn3)[c-]ccc12.C[Si](C)(C)c1cccc2c1sc1c(-c3ccc(C4CCCCC4)cn3)[c-]ccc12.C[Si](C)(C)c1cccc2sc3c(-c4ccc(C5CCCC5)cn4)[c-]ccc3c12.Cc1ccc(-c2[c-]cccc2)nc1.Cc1ccc(-c2[c-]cccc2)nc1.Cc1ccc(-c2[c-]cccc2)nc1.Cc1ccc(-c2[c-]cccc2)nc1.[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/2C26H28NSSi.2C25H26NSSi.4C12H10N.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)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;1-28(2,3)23-13-7-12-22-24(23)20-11-6-10-19(25(20)27-22)21-15-14-18(16-26-21)17-8-4-5-9-17;1-28(2,3)23-15-13-19(25-24(23)20-10-6-7-11-22(20)27-25)21-14-12-18(16-26-21)17-8-4-5-9-17;4*1-10-7-8-12(13-9-10)11-5-3-2-4-6-11;;;;/h7-8,11-12,14-18H,4-6,9-10H2,1-3H3;7,10,12-18H,4-6,8-9H2,1-3H3;6-7,11-17H,4-5,8-9H2,1-3H3;6-7,10-12,14-17H,4-5,8-9H2,1-3H3;4*2-5,7-9H,1H3;;;;/q8*-1;;;;
InChIKeyFJIGHTNFJBTFKR-UHFFFAOYSA-N
MW3072.37 g/mol
LogP40.68
Rot. Bonds16

About [6-(5-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-3-yl]-trimethylsilane;[6-(5-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-4-yl]-trimethylsilane;[4-(5-cyclopentyl-2-pyridinyl)-3H-dibenzothiophen-3-id-1-yl]-trimethylsilane;[6-(5-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-1-yl]-trimethylsilane;tetrakis(iridium);tetrakis(5-methyl-2-phenylpyridine)

[6-(5-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-3-yl]-trimethylsilane;[6-(5-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-4-yl]-trimethylsilane;[4-(5-cyclopentyl-2-pyridinyl)-3H-dibenzothiophen-3-id-1-yl]-trimethylsilane;[6-(5-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-1-yl]-trimethylsilane;tetrakis(iridium);tetrakis(5-methyl-2-phenylpyridine) (PubChem CID 159075922) has the molecular formula C150H148Ir4N8S4Si4-8 and a molecular weight of 3072.37 g/mol. Its IUPAC name is [6-(5-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-3-yl]-trimethylsilane;[6-(5-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-4-yl]-trimethylsilane;[4-(5-cyclopentyl-2-pyridinyl)-3H-dibenzothiophen-3-id-1-yl]-trimethylsilane;[6-(5-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-1-yl]-trimethylsilane;tetrakis(iridium);tetrakis(5-methyl-2-phenylpyridine).

Molecular Properties

Compound Name[6-(5-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-3-yl]-trimethylsilane;[6-(5-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-4-yl]-trimethylsilane;[4-(5-cyclopentyl-2-pyridinyl)-3H-dibenzothiophen-3-id-1-yl]-trimethylsilane;[6-(5-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-1-yl]-trimethylsilane;tetrakis(iridium);tetrakis(5-methyl-2-phenylpyridine)
PubChem CID159075922
Molecular FormulaC150H148Ir4N8S4Si4-8
Molecular Weight3072.37 g/mol
Exact Mass3072.83
IUPAC Name[6-(5-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-3-yl]-trimethylsilane;[6-(5-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-4-yl]-trimethylsilane;[4-(5-cyclopentyl-2-pyridinyl)-3H-dibenzothiophen-3-id-1-yl]-trimethylsilane;[6-(5-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-1-yl]-trimethylsilane;tetrakis(iridium);tetrakis(5-methyl-2-phenylpyridine)
SMILESC[Si](C)(C)c1c[c-]c(-c2ccc(C3CCCC3)cn2)c2sc3ccccc3c12.C[Si](C)(C)c1ccc2c(c1)sc1c(-c3ccc(C4CCCCC4)cn3)[c-]ccc12.C[Si](C)(C)c1cccc2c1sc1c(-c3ccc(C4CCCCC4)cn3)[c-]ccc12.C[Si](C)(C)c1cccc2sc3c(-c4ccc(C5CCCC5)cn4)[c-]ccc3c12.Cc1ccc(-c2[c-]cccc2)nc1.Cc1ccc(-c2[c-]cccc2)nc1.Cc1ccc(-c2[c-]cccc2)nc1.Cc1ccc(-c2[c-]cccc2)nc1.[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/2C26H28NSSi.2C25H26NSSi.4C12H10N.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)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;1-28(2,3)23-13-7-12-22-24(23)20-11-6-10-19(25(20)27-22)21-15-14-18(16-26-21)17-8-4-5-9-17;1-28(2,3)23-15-13-19(25-24(23)20-10-6-7-11-22(20)27-25)21-14-12-18(16-26-21)17-8-4-5-9-17;4*1-10-7-8-12(13-9-10)11-5-3-2-4-6-11;;;;/h7-8,11-12,14-18H,4-6,9-10H2,1-3H3;7,10,12-18H,4-6,8-9H2,1-3H3;6-7,11-17H,4-5,8-9H2,1-3H3;6-7,10-12,14-17H,4-5,8-9H2,1-3H3;4*2-5,7-9H,1H3;;;;/q8*-1;;;;
InChIKeyFJIGHTNFJBTFKR-UHFFFAOYSA-N
XLogP40.68
TPSA103.12 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds16
Heavy Atoms170
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003072.37
LogP ≤ 540.68
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-3-yl]-trimethylsilane;[6-(5-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-4-yl]-trimethylsilane;[4-(5-cyclopentyl-2-pyridinyl)-3H-dibenzothiophen-3-id-1-yl]-trimethylsilane;[6-(5-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-1-yl]-trimethylsilane;tetrakis(iridium);tetrakis(5-methyl-2-phenylpyridine) with MolForge

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Frequently Asked Questions

What is the IUPAC name of [6-(5-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-3-yl]-trimethylsilane;[6-(5-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-4-yl]-trimethylsilane;[4-(5-cyclopentyl-2-pyridinyl)-3H-dibenzothiophen-3-id-1-yl]-trimethylsilane;[6-(5-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-1-yl]-trimethylsilane;tetrakis(iridium);tetrakis(5-methyl-2-phenylpyridine)?
The IUPAC name of [6-(5-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-3-yl]-trimethylsilane;[6-(5-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-4-yl]-trimethylsilane;[4-(5-cyclopentyl-2-pyridinyl)-3H-dibenzothiophen-3-id-1-yl]-trimethylsilane;[6-(5-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-1-yl]-trimethylsilane;tetrakis(iridium);tetrakis(5-methyl-2-phenylpyridine) (CID 159075922) is [6-(5-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-3-yl]-trimethylsilane;[6-(5-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-4-yl]-trimethylsilane;[4-(5-cyclopentyl-2-pyridinyl)-3H-dibenzothiophen-3-id-1-yl]-trimethylsilane;[6-(5-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-1-yl]-trimethylsilane;tetrakis(iridium);tetrakis(5-methyl-2-phenylpyridine).
What is the SMILES notation for [6-(5-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-3-yl]-trimethylsilane;[6-(5-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-4-yl]-trimethylsilane;[4-(5-cyclopentyl-2-pyridinyl)-3H-dibenzothiophen-3-id-1-yl]-trimethylsilane;[6-(5-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-1-yl]-trimethylsilane;tetrakis(iridium);tetrakis(5-methyl-2-phenylpyridine)?
The canonical SMILES for [6-(5-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-3-yl]-trimethylsilane;[6-(5-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-4-yl]-trimethylsilane;[4-(5-cyclopentyl-2-pyridinyl)-3H-dibenzothiophen-3-id-1-yl]-trimethylsilane;[6-(5-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-1-yl]-trimethylsilane;tetrakis(iridium);tetrakis(5-methyl-2-phenylpyridine) is C[Si](C)(C)c1c[c-]c(-c2ccc(C3CCCC3)cn2)c2sc3ccccc3c12.C[Si](C)(C)c1ccc2c(c1)sc1c(-c3ccc(C4CCCCC4)cn3)[c-]ccc12.C[Si](C)(C)c1cccc2c1sc1c(-c3ccc(C4CCCCC4)cn3)[c-]ccc12.C[Si](C)(C)c1cccc2sc3c(-c4ccc(C5CCCC5)cn4)[c-]ccc3c12.Cc1ccc(-c2[c-]cccc2)nc1.Cc1ccc(-c2[c-]cccc2)nc1.Cc1ccc(-c2[c-]cccc2)nc1.Cc1ccc(-c2[c-]cccc2)nc1.[Ir].[Ir].[Ir].[Ir].
What is the InChIKey of [6-(5-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-3-yl]-trimethylsilane;[6-(5-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-4-yl]-trimethylsilane;[4-(5-cyclopentyl-2-pyridinyl)-3H-dibenzothiophen-3-id-1-yl]-trimethylsilane;[6-(5-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-1-yl]-trimethylsilane;tetrakis(iridium);tetrakis(5-methyl-2-phenylpyridine)?
The InChIKey is FJIGHTNFJBTFKR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C26H28NSSi.2C25H26NSSi.4C12H10N.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)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;1-28(2,3)23-13-7-12-22-24(23)20-11-6-10-19(25(20)27-22)21-15-14-18(16-26-21)17-8-4-5-9-17;1-28(2,3)23-15-13-19(25-24(23)20-10-6-7-11-22(20)27-25)21-14-12-18(16-26-21)17-8-4-5-9-17;4*1-10-7-8-12(13-9-10)11-5-3-2-4-6-11;;;;/h7-8,11-12,14-18H,4-6,9-10H2,1-3H3;7,10,12-18H,4-6,8-9H2,1-3H3;6-7,11-17H,4-5,8-9H2,1-3H3;6-7,10-12,14-17H,4-5,8-9H2,1-3H3;4*2-5,7-9H,1H3;;;;/q8*-1;;;;.
What are the key properties of [6-(5-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-3-yl]-trimethylsilane;[6-(5-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-4-yl]-trimethylsilane;[4-(5-cyclopentyl-2-pyridinyl)-3H-dibenzothiophen-3-id-1-yl]-trimethylsilane;[6-(5-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-1-yl]-trimethylsilane;tetrakis(iridium);tetrakis(5-methyl-2-phenylpyridine)?
[6-(5-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-3-yl]-trimethylsilane;[6-(5-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-4-yl]-trimethylsilane;[4-(5-cyclopentyl-2-pyridinyl)-3H-dibenzothiophen-3-id-1-yl]-trimethylsilane;[6-(5-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-1-yl]-trimethylsilane;tetrakis(iridium);tetrakis(5-methyl-2-phenylpyridine) has a molecular weight of 3072.37 g/mol, XLogP of 40.68, 16 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-3-yl]-trimethylsilane;[6-(5-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-4-yl]-trimethylsilane;[4-(5-cyclopentyl-2-pyridinyl)-3H-dibenzothiophen-3-id-1-yl]-trimethylsilane;[6-(5-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-1-yl]-trimethylsilane;tetrakis(iridium);tetrakis(5-methyl-2-phenylpyridine) is sourced from PubChem (CID 159075922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).