[6-(4-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-1-yl]-trimethylsilane;[6-(4-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-2-yl]-trimethylsilane;[6-(4-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-3-yl]-trimethylsilane;[6-(4-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-4-yl]-trimethylsilane;[4-(4-cyclopropyl-2-pyridinyl)-3H-dibenzothiophen-3-id-1-yl]-trimethylsilane;pentakis(iridium);pentakis(2-phenyl-5-(trideuteriomethyl)pyridine)

C183H176Ir5N10S5Si5-10 — CID 162201721

IUPAC[6-(4-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-1-yl]-trimethylsilane;[6-(4-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-2-yl]-trimethylsilane;[6-(4-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-3-yl]-trimethylsilane;[6-(4-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-4-yl]-trimethylsilane;[4-(4-cyclopropyl-2-pyridinyl)-3H-dibenzothiophen-3-id-1-yl]-trimethylsilane;pentakis(iridium);pentakis(2-phenyl-5-(trideuteriomethyl)pyridine)
SMILESC[Si](C)(C)c1c[c-]c(-c2cc(C3CC3)ccn2)c2sc3ccccc3c12.C[Si](C)(C)c1ccc2c(c1)sc1c(-c3cc(C4CCCC4)ccn3)[c-]ccc12.C[Si](C)(C)c1ccc2sc3c(-c4cc(C5CCCC5)ccn4)[c-]ccc3c2c1.C[Si](C)(C)c1cccc2c1sc1c(-c3cc(C4CCCC4)ccn3)[c-]ccc12.C[Si](C)(C)c1cccc2sc3c(-c4cc(C5CCCC5)ccn4)[c-]ccc3c12.[2H]C([2H])([2H])c1ccc(-c2[c-]cccc2)nc1.[2H]C([2H])([2H])c1ccc(-c2[c-]cccc2)nc1.[2H]C([2H])([2H])c1ccc(-c2[c-]cccc2)nc1.[2H]C([2H])([2H])c1ccc(-c2[c-]cccc2)nc1.[2H]C([2H])([2H])c1ccc(-c2[c-]cccc2)nc1.[Ir].[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/4C25H26NSSi.C23H22NSSi.5C12H10N.5Ir/c1-28(2,3)23-13-7-11-20-19-10-6-12-21(24(19)27-25(20)23)22-16-18(14-15-26-22)17-8-4-5-9-17;1-28(2,3)23-13-7-12-22-24(23)20-11-6-10-19(25(20)27-22)21-16-18(14-15-26-21)17-8-4-5-9-17;1-28(2,3)19-11-12-20-21-9-6-10-22(25(21)27-24(20)16-19)23-15-18(13-14-26-23)17-7-4-5-8-17;1-28(2,3)19-11-12-24-22(16-19)20-9-6-10-21(25(20)27-24)23-15-18(13-14-26-23)17-7-4-5-8-17;1-26(2,3)21-11-10-17(19-14-16(12-13-24-19)15-8-9-15)23-22(21)18-6-4-5-7-20(18)25-23;5*1-10-7-8-12(13-9-10)11-5-3-2-4-6-11;;;;;/h6-7,10-11,13-17H,4-5,8-9H2,1-3H3;6-7,11-17H,4-5,8-9H2,1-3H3;2*6,9,11-17H,4-5,7-8H2,1-3H3;4-7,11-15H,8-9H2,1-3H3;5*2-5,7-9H,1H3;;;;;/q10*-1;;;;;/i;;;;;5*1D3;;;;;
InChIKeyICDOWYSPMXMANM-HMSQWINUSA-N
MW3792.43 g/mol
LogP49.09
Rot. Bonds25

About [6-(4-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-1-yl]-trimethylsilane;[6-(4-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-2-yl]-trimethylsilane;[6-(4-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-3-yl]-trimethylsilane;[6-(4-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-4-yl]-trimethylsilane;[4-(4-cyclopropyl-2-pyridinyl)-3H-dibenzothiophen-3-id-1-yl]-trimethylsilane;pentakis(iridium);pentakis(2-phenyl-5-(trideuteriomethyl)pyridine)

[6-(4-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-1-yl]-trimethylsilane;[6-(4-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-2-yl]-trimethylsilane;[6-(4-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-3-yl]-trimethylsilane;[6-(4-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-4-yl]-trimethylsilane;[4-(4-cyclopropyl-2-pyridinyl)-3H-dibenzothiophen-3-id-1-yl]-trimethylsilane;pentakis(iridium);pentakis(2-phenyl-5-(trideuteriomethyl)pyridine) (PubChem CID 162201721) has the molecular formula C183H176Ir5N10S5Si5-10 and a molecular weight of 3792.43 g/mol. Its IUPAC name is [6-(4-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-1-yl]-trimethylsilane;[6-(4-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-2-yl]-trimethylsilane;[6-(4-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-3-yl]-trimethylsilane;[6-(4-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-4-yl]-trimethylsilane;[4-(4-cyclopropyl-2-pyridinyl)-3H-dibenzothiophen-3-id-1-yl]-trimethylsilane;pentakis(iridium);pentakis(2-phenyl-5-(trideuteriomethyl)pyridine).

Molecular Properties

Compound Name[6-(4-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-1-yl]-trimethylsilane;[6-(4-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-2-yl]-trimethylsilane;[6-(4-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-3-yl]-trimethylsilane;[6-(4-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-4-yl]-trimethylsilane;[4-(4-cyclopropyl-2-pyridinyl)-3H-dibenzothiophen-3-id-1-yl]-trimethylsilane;pentakis(iridium);pentakis(2-phenyl-5-(trideuteriomethyl)pyridine)
PubChem CID162201721
Molecular FormulaC183H176Ir5N10S5Si5-10
Molecular Weight3792.43 g/mol
Exact Mass3793.07
IUPAC Name[6-(4-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-1-yl]-trimethylsilane;[6-(4-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-2-yl]-trimethylsilane;[6-(4-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-3-yl]-trimethylsilane;[6-(4-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-4-yl]-trimethylsilane;[4-(4-cyclopropyl-2-pyridinyl)-3H-dibenzothiophen-3-id-1-yl]-trimethylsilane;pentakis(iridium);pentakis(2-phenyl-5-(trideuteriomethyl)pyridine)
SMILESC[Si](C)(C)c1c[c-]c(-c2cc(C3CC3)ccn2)c2sc3ccccc3c12.C[Si](C)(C)c1ccc2c(c1)sc1c(-c3cc(C4CCCC4)ccn3)[c-]ccc12.C[Si](C)(C)c1ccc2sc3c(-c4cc(C5CCCC5)ccn4)[c-]ccc3c2c1.C[Si](C)(C)c1cccc2c1sc1c(-c3cc(C4CCCC4)ccn3)[c-]ccc12.C[Si](C)(C)c1cccc2sc3c(-c4cc(C5CCCC5)ccn4)[c-]ccc3c12.[2H]C([2H])([2H])c1ccc(-c2[c-]cccc2)nc1.[2H]C([2H])([2H])c1ccc(-c2[c-]cccc2)nc1.[2H]C([2H])([2H])c1ccc(-c2[c-]cccc2)nc1.[2H]C([2H])([2H])c1ccc(-c2[c-]cccc2)nc1.[2H]C([2H])([2H])c1ccc(-c2[c-]cccc2)nc1.[Ir].[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/4C25H26NSSi.C23H22NSSi.5C12H10N.5Ir/c1-28(2,3)23-13-7-11-20-19-10-6-12-21(24(19)27-25(20)23)22-16-18(14-15-26-22)17-8-4-5-9-17;1-28(2,3)23-13-7-12-22-24(23)20-11-6-10-19(25(20)27-22)21-16-18(14-15-26-21)17-8-4-5-9-17;1-28(2,3)19-11-12-20-21-9-6-10-22(25(21)27-24(20)16-19)23-15-18(13-14-26-23)17-7-4-5-8-17;1-28(2,3)19-11-12-24-22(16-19)20-9-6-10-21(25(20)27-24)23-15-18(13-14-26-23)17-7-4-5-8-17;1-26(2,3)21-11-10-17(19-14-16(12-13-24-19)15-8-9-15)23-22(21)18-6-4-5-7-20(18)25-23;5*1-10-7-8-12(13-9-10)11-5-3-2-4-6-11;;;;;/h6-7,10-11,13-17H,4-5,8-9H2,1-3H3;6-7,11-17H,4-5,8-9H2,1-3H3;2*6,9,11-17H,4-5,7-8H2,1-3H3;4-7,11-15H,8-9H2,1-3H3;5*2-5,7-9H,1H3;;;;;/q10*-1;;;;;/i;;;;;5*1D3;;;;;
InChIKeyICDOWYSPMXMANM-HMSQWINUSA-N
XLogP49.09
TPSA128.90 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds25
Heavy Atoms208
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003792.43
LogP ≤ 549.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze [6-(4-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-1-yl]-trimethylsilane;[6-(4-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-2-yl]-trimethylsilane;[6-(4-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-3-yl]-trimethylsilane;[6-(4-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-4-yl]-trimethylsilane;[4-(4-cyclopropyl-2-pyridinyl)-3H-dibenzothiophen-3-id-1-yl]-trimethylsilane;pentakis(iridium);pentakis(2-phenyl-5-(trideuteriomethyl)pyridine) with MolForge

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Frequently Asked Questions

What is the IUPAC name of [6-(4-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-1-yl]-trimethylsilane;[6-(4-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-2-yl]-trimethylsilane;[6-(4-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-3-yl]-trimethylsilane;[6-(4-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-4-yl]-trimethylsilane;[4-(4-cyclopropyl-2-pyridinyl)-3H-dibenzothiophen-3-id-1-yl]-trimethylsilane;pentakis(iridium);pentakis(2-phenyl-5-(trideuteriomethyl)pyridine)?
The IUPAC name of [6-(4-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-1-yl]-trimethylsilane;[6-(4-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-2-yl]-trimethylsilane;[6-(4-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-3-yl]-trimethylsilane;[6-(4-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-4-yl]-trimethylsilane;[4-(4-cyclopropyl-2-pyridinyl)-3H-dibenzothiophen-3-id-1-yl]-trimethylsilane;pentakis(iridium);pentakis(2-phenyl-5-(trideuteriomethyl)pyridine) (CID 162201721) is [6-(4-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-1-yl]-trimethylsilane;[6-(4-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-2-yl]-trimethylsilane;[6-(4-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-3-yl]-trimethylsilane;[6-(4-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-4-yl]-trimethylsilane;[4-(4-cyclopropyl-2-pyridinyl)-3H-dibenzothiophen-3-id-1-yl]-trimethylsilane;pentakis(iridium);pentakis(2-phenyl-5-(trideuteriomethyl)pyridine).
What is the SMILES notation for [6-(4-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-1-yl]-trimethylsilane;[6-(4-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-2-yl]-trimethylsilane;[6-(4-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-3-yl]-trimethylsilane;[6-(4-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-4-yl]-trimethylsilane;[4-(4-cyclopropyl-2-pyridinyl)-3H-dibenzothiophen-3-id-1-yl]-trimethylsilane;pentakis(iridium);pentakis(2-phenyl-5-(trideuteriomethyl)pyridine)?
The canonical SMILES for [6-(4-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-1-yl]-trimethylsilane;[6-(4-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-2-yl]-trimethylsilane;[6-(4-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-3-yl]-trimethylsilane;[6-(4-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-4-yl]-trimethylsilane;[4-(4-cyclopropyl-2-pyridinyl)-3H-dibenzothiophen-3-id-1-yl]-trimethylsilane;pentakis(iridium);pentakis(2-phenyl-5-(trideuteriomethyl)pyridine) is C[Si](C)(C)c1c[c-]c(-c2cc(C3CC3)ccn2)c2sc3ccccc3c12.C[Si](C)(C)c1ccc2c(c1)sc1c(-c3cc(C4CCCC4)ccn3)[c-]ccc12.C[Si](C)(C)c1ccc2sc3c(-c4cc(C5CCCC5)ccn4)[c-]ccc3c2c1.C[Si](C)(C)c1cccc2c1sc1c(-c3cc(C4CCCC4)ccn3)[c-]ccc12.C[Si](C)(C)c1cccc2sc3c(-c4cc(C5CCCC5)ccn4)[c-]ccc3c12.[2H]C([2H])([2H])c1ccc(-c2[c-]cccc2)nc1.[2H]C([2H])([2H])c1ccc(-c2[c-]cccc2)nc1.[2H]C([2H])([2H])c1ccc(-c2[c-]cccc2)nc1.[2H]C([2H])([2H])c1ccc(-c2[c-]cccc2)nc1.[2H]C([2H])([2H])c1ccc(-c2[c-]cccc2)nc1.[Ir].[Ir].[Ir].[Ir].[Ir].
What is the InChIKey of [6-(4-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-1-yl]-trimethylsilane;[6-(4-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-2-yl]-trimethylsilane;[6-(4-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-3-yl]-trimethylsilane;[6-(4-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-4-yl]-trimethylsilane;[4-(4-cyclopropyl-2-pyridinyl)-3H-dibenzothiophen-3-id-1-yl]-trimethylsilane;pentakis(iridium);pentakis(2-phenyl-5-(trideuteriomethyl)pyridine)?
The InChIKey is ICDOWYSPMXMANM-HMSQWINUSA-N. The full InChI is InChI=1S/4C25H26NSSi.C23H22NSSi.5C12H10N.5Ir/c1-28(2,3)23-13-7-11-20-19-10-6-12-21(24(19)27-25(20)23)22-16-18(14-15-26-22)17-8-4-5-9-17;1-28(2,3)23-13-7-12-22-24(23)20-11-6-10-19(25(20)27-22)21-16-18(14-15-26-21)17-8-4-5-9-17;1-28(2,3)19-11-12-20-21-9-6-10-22(25(21)27-24(20)16-19)23-15-18(13-14-26-23)17-7-4-5-8-17;1-28(2,3)19-11-12-24-22(16-19)20-9-6-10-21(25(20)27-24)23-15-18(13-14-26-23)17-7-4-5-8-17;1-26(2,3)21-11-10-17(19-14-16(12-13-24-19)15-8-9-15)23-22(21)18-6-4-5-7-20(18)25-23;5*1-10-7-8-12(13-9-10)11-5-3-2-4-6-11;;;;;/h6-7,10-11,13-17H,4-5,8-9H2,1-3H3;6-7,11-17H,4-5,8-9H2,1-3H3;2*6,9,11-17H,4-5,7-8H2,1-3H3;4-7,11-15H,8-9H2,1-3H3;5*2-5,7-9H,1H3;;;;;/q10*-1;;;;;/i;;;;;5*1D3;;;;;.
What are the key properties of [6-(4-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-1-yl]-trimethylsilane;[6-(4-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-2-yl]-trimethylsilane;[6-(4-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-3-yl]-trimethylsilane;[6-(4-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-4-yl]-trimethylsilane;[4-(4-cyclopropyl-2-pyridinyl)-3H-dibenzothiophen-3-id-1-yl]-trimethylsilane;pentakis(iridium);pentakis(2-phenyl-5-(trideuteriomethyl)pyridine)?
[6-(4-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-1-yl]-trimethylsilane;[6-(4-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-2-yl]-trimethylsilane;[6-(4-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-3-yl]-trimethylsilane;[6-(4-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-4-yl]-trimethylsilane;[4-(4-cyclopropyl-2-pyridinyl)-3H-dibenzothiophen-3-id-1-yl]-trimethylsilane;pentakis(iridium);pentakis(2-phenyl-5-(trideuteriomethyl)pyridine) has a molecular weight of 3792.43 g/mol, XLogP of 49.09, 25 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-1-yl]-trimethylsilane;[6-(4-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-2-yl]-trimethylsilane;[6-(4-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-3-yl]-trimethylsilane;[6-(4-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-4-yl]-trimethylsilane;[4-(4-cyclopropyl-2-pyridinyl)-3H-dibenzothiophen-3-id-1-yl]-trimethylsilane;pentakis(iridium);pentakis(2-phenyl-5-(trideuteriomethyl)pyridine) is sourced from PubChem (CID 162201721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).