tetrakis(5-cyclopropyl-2-phenylpyridine);pentakis(iridium);2-phenyl-5-propan-2-ylpyridine;trimethyl-(4-pyridin-2-yl-3H-dibenzothiophen-3-id-1-yl)silane;trimethyl-(6-pyridin-2-yl-7H-dibenzothiophen-7-id-1-yl)silane;trimethyl-(6-pyridin-2-yl-7H-dibenzothiophen-7-id-2-yl)silane;trimethyl-(6-pyridin-2-yl-7H-dibenzothiophen-7-id-3-yl)silane;trimethyl-(6-pyridin-2-yl-7H-dibenzothiophen-7-id-4-yl)silane

C170H152Ir5N10S5Si5-10 — CID 157084397

About tetrakis(5-cyclopropyl-2-phenylpyridine);pentakis(iridium);2-phenyl-5-propan-2-ylpyridine;trimethyl-(4-pyridin-2-yl-3H-dibenzothiophen-3-id-1-yl)silane;trimethyl-(6-pyridin-2-yl-7H-dibenzothiophen-7-id-1-yl)silane;trimethyl-(6-pyridin-2-yl-7H-dibenzothiophen-7-id-2-yl)silane;trimethyl-(6-pyridin-2-yl-7H-dibenzothiophen-7-id-3-yl)silane;trimethyl-(6-pyridin-2-yl-7H-dibenzothiophen-7-id-4-yl)silane

tetrakis(5-cyclopropyl-2-phenylpyridine);pentakis(iridium);2-phenyl-5-propan-2-ylpyridine;trimethyl-(4-pyridin-2-yl-3H-dibenzothiophen-3-id-1-yl)silane;trimethyl-(6-pyridin-2-yl-7H-dibenzothiophen-7-id-1-yl)silane;trimethyl-(6-pyridin-2-yl-7H-dibenzothiophen-7-id-2-yl)silane;trimethyl-(6-pyridin-2-yl-7H-dibenzothiophen-7-id-3-yl)silane;trimethyl-(6-pyridin-2-yl-7H-dibenzothiophen-7-id-4-yl)silane (PubChem CID 157084397) has the molecular formula C170H152Ir5N10S5Si5-10 and a molecular weight of 3597.01 g/mol. Its IUPAC name is tetrakis(5-cyclopropyl-2-phenylpyridine);pentakis(iridium);2-phenyl-5-propan-2-ylpyridine;trimethyl-(4-pyridin-2-yl-3H-dibenzothiophen-3-id-1-yl)silane;trimethyl-(6-pyridin-2-yl-7H-dibenzothiophen-7-id-1-yl)silane;trimethyl-(6-pyridin-2-yl-7H-dibenzothiophen-7-id-2-yl)silane;trimethyl-(6-pyridin-2-yl-7H-dibenzothiophen-7-id-3-yl)silane;trimethyl-(6-pyridin-2-yl-7H-dibenzothiophen-7-id-4-yl)silane.

Molecular Properties

• Compound Name: tetrakis(5-cyclopropyl-2-phenylpyridine);pentakis(iridium);2-phenyl-5-propan-2-ylpyridine;trimethyl-(4-pyridin-2-yl-3H-dibenzothiophen-3-id-1-yl)silane;trimethyl-(6-pyridin-2-yl-7H-dibenzothiophen-7-id-1-yl)silane;trimethyl-(6-pyridin-2-yl-7H-dibenzothiophen-7-id-2-yl)silane;trimethyl-(6-pyridin-2-yl-7H-dibenzothiophen-7-id-3-yl)silane;trimethyl-(6-pyridin-2-yl-7H-dibenzothiophen-7-id-4-yl)silane
• PubChem CID: 157084397
• Molecular Formula: C170H152Ir5N10S5Si5-10
• Molecular Weight: 3597.01 g/mol
• Exact Mass: 3597.79
• IUPAC Name: tetrakis(5-cyclopropyl-2-phenylpyridine);pentakis(iridium);2-phenyl-5-propan-2-ylpyridine;trimethyl-(4-pyridin-2-yl-3H-dibenzothiophen-3-id-1-yl)silane;trimethyl-(6-pyridin-2-yl-7H-dibenzothiophen-7-id-1-yl)silane;trimethyl-(6-pyridin-2-yl-7H-dibenzothiophen-7-id-2-yl)silane;trimethyl-(6-pyridin-2-yl-7H-dibenzothiophen-7-id-3-yl)silane;trimethyl-(6-pyridin-2-yl-7H-dibenzothiophen-7-id-4-yl)silane
• SMILES: CC(C)c1ccc(-c2[c-]cccc2)nc1.C[Si](C)(C)c1c[c-]c(-c2ccccn2)c2sc3ccccc3c12.C[Si](C)(C)c1ccc2c(c1)sc1c(-c3ccccn3)[c-]ccc12.C[Si](C)(C)c1ccc2sc3c(-c4ccccn4)[c-]ccc3c2c1.C[Si](C)(C)c1cccc2c1sc1c(-c3ccccn3)[c-]ccc12.C[Si](C)(C)c1cccc2sc3c(-c4ccccn4)[c-]ccc3c12.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccc(C2CC2)cn1.[c-]1ccccc1-c1ccc(C2CC2)cn1.[c-]1ccccc1-c1ccc(C2CC2)cn1.[c-]1ccccc1-c1ccc(C2CC2)cn1
• InChI: InChI=1S/5C20H18NSSi.4C14H12N.C14H14N.5Ir/c1-23(2,3)18-12-7-9-15-14-8-6-10-16(19(14)22-20(15)18)17-11-4-5-13-21-17;1-23(2,3)18-12-7-11-17-19(18)15-9-6-8-14(20(15)22-17)16-10-4-5-13-21-16;1-23(2,3)14-10-11-15-16-7-6-8-17(18-9-4-5-12-21-18)20(16)22-19(15)13-14;1-23(2,3)14-10-11-19-17(13-14)15-7-6-8-16(20(15)22-19)18-9-4-5-12-21-18;1-23(2,3)18-12-11-14(16-9-6-7-13-21-16)20-19(18)15-8-4-5-10-17(15)22-20;4*1-2-4-12(5-3-1)14-9-8-13(10-15-14)11-6-7-11;1-11(2)13-8-9-14(15-10-13)12-6-4-3-5-7-12;;;;;/h4-9,11-13H,1-3H3;3*4-7,9-13H,1-3H3;4-10,12-13H,1-3H3;4*1-4,8-11H,6-7H2;3-6,8-11H,1-2H3;;;;;/q10*-1
• InChIKey: BCERMQRZHHFKCL-UHFFFAOYSA-N
• XLogP: 44.67
• TPSA: 128.90 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 20
• Heavy Atoms: 195
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3597.01
LogP ≤ 5	44.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tetrakis(5-cyclopropyl-2-phenylpyridine);pentakis(iridium);2-phenyl-5-propan-2-ylpyridine;trimethyl-(4-pyridin-2-yl-3H-dibenzothiophen-3-id-1-yl)silane;trimethyl-(6-pyridin-2-yl-7H-dibenzothiophen-7-id-1-yl)silane;trimethyl-(6-pyridin-2-yl-7H-dibenzothiophen-7-id-2-yl)silane;trimethyl-(6-pyridin-2-yl-7H-dibenzothiophen-7-id-3-yl)silane;trimethyl-(6-pyridin-2-yl-7H-dibenzothiophen-7-id-4-yl)silane?

The IUPAC name of tetrakis(5-cyclopropyl-2-phenylpyridine);pentakis(iridium);2-phenyl-5-propan-2-ylpyridine;trimethyl-(4-pyridin-2-yl-3H-dibenzothiophen-3-id-1-yl)silane;trimethyl-(6-pyridin-2-yl-7H-dibenzothiophen-7-id-1-yl)silane;trimethyl-(6-pyridin-2-yl-7H-dibenzothiophen-7-id-2-yl)silane;trimethyl-(6-pyridin-2-yl-7H-dibenzothiophen-7-id-3-yl)silane;trimethyl-(6-pyridin-2-yl-7H-dibenzothiophen-7-id-4-yl)silane (CID 157084397) is tetrakis(5-cyclopropyl-2-phenylpyridine);pentakis(iridium);2-phenyl-5-propan-2-ylpyridine;trimethyl-(4-pyridin-2-yl-3H-dibenzothiophen-3-id-1-yl)silane;trimethyl-(6-pyridin-2-yl-7H-dibenzothiophen-7-id-1-yl)silane;trimethyl-(6-pyridin-2-yl-7H-dibenzothiophen-7-id-2-yl)silane;trimethyl-(6-pyridin-2-yl-7H-dibenzothiophen-7-id-3-yl)silane;trimethyl-(6-pyridin-2-yl-7H-dibenzothiophen-7-id-4-yl)silane.

What is the SMILES notation for tetrakis(5-cyclopropyl-2-phenylpyridine);pentakis(iridium);2-phenyl-5-propan-2-ylpyridine;trimethyl-(4-pyridin-2-yl-3H-dibenzothiophen-3-id-1-yl)silane;trimethyl-(6-pyridin-2-yl-7H-dibenzothiophen-7-id-1-yl)silane;trimethyl-(6-pyridin-2-yl-7H-dibenzothiophen-7-id-2-yl)silane;trimethyl-(6-pyridin-2-yl-7H-dibenzothiophen-7-id-3-yl)silane;trimethyl-(6-pyridin-2-yl-7H-dibenzothiophen-7-id-4-yl)silane?

The canonical SMILES for tetrakis(5-cyclopropyl-2-phenylpyridine);pentakis(iridium);2-phenyl-5-propan-2-ylpyridine;trimethyl-(4-pyridin-2-yl-3H-dibenzothiophen-3-id-1-yl)silane;trimethyl-(6-pyridin-2-yl-7H-dibenzothiophen-7-id-1-yl)silane;trimethyl-(6-pyridin-2-yl-7H-dibenzothiophen-7-id-2-yl)silane;trimethyl-(6-pyridin-2-yl-7H-dibenzothiophen-7-id-3-yl)silane;trimethyl-(6-pyridin-2-yl-7H-dibenzothiophen-7-id-4-yl)silane is CC(C)c1ccc(-c2[c-]cccc2)nc1.C[Si](C)(C)c1c[c-]c(-c2ccccn2)c2sc3ccccc3c12.C[Si](C)(C)c1ccc2c(c1)sc1c(-c3ccccn3)[c-]ccc12.C[Si](C)(C)c1ccc2sc3c(-c4ccccn4)[c-]ccc3c2c1.C[Si](C)(C)c1cccc2c1sc1c(-c3ccccn3)[c-]ccc12.C[Si](C)(C)c1cccc2sc3c(-c4ccccn4)[c-]ccc3c12.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccc(C2CC2)cn1.[c-]1ccccc1-c1ccc(C2CC2)cn1.[c-]1ccccc1-c1ccc(C2CC2)cn1.[c-]1ccccc1-c1ccc(C2CC2)cn1.

What is the InChIKey of tetrakis(5-cyclopropyl-2-phenylpyridine);pentakis(iridium);2-phenyl-5-propan-2-ylpyridine;trimethyl-(4-pyridin-2-yl-3H-dibenzothiophen-3-id-1-yl)silane;trimethyl-(6-pyridin-2-yl-7H-dibenzothiophen-7-id-1-yl)silane;trimethyl-(6-pyridin-2-yl-7H-dibenzothiophen-7-id-2-yl)silane;trimethyl-(6-pyridin-2-yl-7H-dibenzothiophen-7-id-3-yl)silane;trimethyl-(6-pyridin-2-yl-7H-dibenzothiophen-7-id-4-yl)silane?

The InChIKey is BCERMQRZHHFKCL-UHFFFAOYSA-N. The full InChI is InChI=1S/5C20H18NSSi.4C14H12N.C14H14N.5Ir/c1-23(2,3)18-12-7-9-15-14-8-6-10-16(19(14)22-20(15)18)17-11-4-5-13-21-17;1-23(2,3)18-12-7-11-17-19(18)15-9-6-8-14(20(15)22-17)16-10-4-5-13-21-16;1-23(2,3)14-10-11-15-16-7-6-8-17(18-9-4-5-12-21-18)20(16)22-19(15)13-14;1-23(2,3)14-10-11-19-17(13-14)15-7-6-8-16(20(15)22-19)18-9-4-5-12-21-18;1-23(2,3)18-12-11-14(16-9-6-7-13-21-16)20-19(18)15-8-4-5-10-17(15)22-20;4*1-2-4-12(5-3-1)14-9-8-13(10-15-14)11-6-7-11;1-11(2)13-8-9-14(15-10-13)12-6-4-3-5-7-12;;;;;/h4-9,11-13H,1-3H3;3*4-7,9-13H,1-3H3;4-10,12-13H,1-3H3;4*1-4,8-11H,6-7H2;3-6,8-11H,1-2H3;;;;;/q10*-1;;;;;.

What are the key properties of tetrakis(5-cyclopropyl-2-phenylpyridine);pentakis(iridium);2-phenyl-5-propan-2-ylpyridine;trimethyl-(4-pyridin-2-yl-3H-dibenzothiophen-3-id-1-yl)silane;trimethyl-(6-pyridin-2-yl-7H-dibenzothiophen-7-id-1-yl)silane;trimethyl-(6-pyridin-2-yl-7H-dibenzothiophen-7-id-2-yl)silane;trimethyl-(6-pyridin-2-yl-7H-dibenzothiophen-7-id-3-yl)silane;trimethyl-(6-pyridin-2-yl-7H-dibenzothiophen-7-id-4-yl)silane?

tetrakis(5-cyclopropyl-2-phenylpyridine);pentakis(iridium);2-phenyl-5-propan-2-ylpyridine;trimethyl-(4-pyridin-2-yl-3H-dibenzothiophen-3-id-1-yl)silane;trimethyl-(6-pyridin-2-yl-7H-dibenzothiophen-7-id-1-yl)silane;trimethyl-(6-pyridin-2-yl-7H-dibenzothiophen-7-id-2-yl)silane;trimethyl-(6-pyridin-2-yl-7H-dibenzothiophen-7-id-3-yl)silane;trimethyl-(6-pyridin-2-yl-7H-dibenzothiophen-7-id-4-yl)silane has a molecular weight of 3597.01 g/mol, XLogP of 44.67, 20 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for tetrakis(5-cyclopropyl-2-phenylpyridine);pentakis(iridium);2-phenyl-5-propan-2-ylpyridine;trimethyl-(4-pyridin-2-yl-3H-dibenzothiophen-3-id-1-yl)silane;trimethyl-(6-pyridin-2-yl-7H-dibenzothiophen-7-id-1-yl)silane;trimethyl-(6-pyridin-2-yl-7H-dibenzothiophen-7-id-2-yl)silane;trimethyl-(6-pyridin-2-yl-7H-dibenzothiophen-7-id-3-yl)silane;trimethyl-(6-pyridin-2-yl-7H-dibenzothiophen-7-id-4-yl)silane is sourced from PubChem (CID 157084397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).