[2-(3H-dibenzothiophen-3-id-2-yl)-5-phenyl-4-pyridinyl]-trimethylsilane;[2-(9-ethyl-2H-carbazol-2-id-3-yl)-5-phenyl-4-pyridinyl]-trimethylsilane;tris(iridium);tris(2-phenylpyridine);trimethyl-[5-phenyl-2-(9-phenyl-2H-carbazol-2-id-3-yl)-4-pyridinyl]silane

C119H100Ir3N8SSi3-6 — CID 158401536

About [2-(3H-dibenzothiophen-3-id-2-yl)-5-phenyl-4-pyridinyl]-trimethylsilane;[2-(9-ethyl-2H-carbazol-2-id-3-yl)-5-phenyl-4-pyridinyl]-trimethylsilane;tris(iridium);tris(2-phenylpyridine);trimethyl-[5-phenyl-2-(9-phenyl-2H-carbazol-2-id-3-yl)-4-pyridinyl]silane

[2-(3H-dibenzothiophen-3-id-2-yl)-5-phenyl-4-pyridinyl]-trimethylsilane;[2-(9-ethyl-2H-carbazol-2-id-3-yl)-5-phenyl-4-pyridinyl]-trimethylsilane;tris(iridium);tris(2-phenylpyridine);trimethyl-[5-phenyl-2-(9-phenyl-2H-carbazol-2-id-3-yl)-4-pyridinyl]silane (PubChem CID 158401536) has the molecular formula C119H100Ir3N8SSi3-6 and a molecular weight of 2335.14 g/mol. Its IUPAC name is [2-(3H-dibenzothiophen-3-id-2-yl)-5-phenyl-4-pyridinyl]-trimethylsilane;[2-(9-ethyl-2H-carbazol-2-id-3-yl)-5-phenyl-4-pyridinyl]-trimethylsilane;tris(iridium);tris(2-phenylpyridine);trimethyl-[5-phenyl-2-(9-phenyl-2H-carbazol-2-id-3-yl)-4-pyridinyl]silane.

Molecular Properties

• Compound Name: [2-(3H-dibenzothiophen-3-id-2-yl)-5-phenyl-4-pyridinyl]-trimethylsilane;[2-(9-ethyl-2H-carbazol-2-id-3-yl)-5-phenyl-4-pyridinyl]-trimethylsilane;tris(iridium);tris(2-phenylpyridine);trimethyl-[5-phenyl-2-(9-phenyl-2H-carbazol-2-id-3-yl)-4-pyridinyl]silane
• PubChem CID: 158401536
• Molecular Formula: C119H100Ir3N8SSi3-6
• Molecular Weight: 2335.14 g/mol
• Exact Mass: 2335.60
• IUPAC Name: [2-(3H-dibenzothiophen-3-id-2-yl)-5-phenyl-4-pyridinyl]-trimethylsilane;[2-(9-ethyl-2H-carbazol-2-id-3-yl)-5-phenyl-4-pyridinyl]-trimethylsilane;tris(iridium);tris(2-phenylpyridine);trimethyl-[5-phenyl-2-(9-phenyl-2H-carbazol-2-id-3-yl)-4-pyridinyl]silane
• SMILES: CCn1c2c[c-]c(-c3cc([Si](C)(C)C)c(-c4ccccc4)cn3)cc2c2ccccc21.C[Si](C)(C)c1cc(-c2[c-]cc3c(c2)c2ccccc2n3-c2ccccc2)ncc1-c1ccccc1.C[Si](C)(C)c1cc(-c2[c-]cc3sc4ccccc4c3c2)ncc1-c1ccccc1.[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
• InChI: InChI=1S/C32H27N2Si.C28H27N2Si.C26H22NSSi.3C11H8N.3Ir/c1-35(2,3)32-21-29(33-22-28(32)23-12-6-4-7-13-23)24-18-19-31-27(20-24)26-16-10-11-17-30(26)34(31)25-14-8-5-9-15-25;1-5-30-26-14-10-9-13-22(26)23-17-21(15-16-27(23)30)25-18-28(31(2,3)4)24(19-29-25)20-11-7-6-8-12-20;1-29(2,3)26-16-23(27-17-22(26)18-9-5-4-6-10-18)19-13-14-25-21(15-19)20-11-7-8-12-24(20)28-25;3*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;/h4-17,19-22H,1-3H3;6-14,16-19H,5H2,1-4H3;4-12,14-17H,1-3H3;3*1-6,8-9H;;;/q6*-1
• InChIKey: PTWAPGVCVUHXQH-UHFFFAOYSA-N
• XLogP: 29.51
• TPSA: 87.20 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 14
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2335.14
LogP ≤ 5	29.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

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 [2-(3H-dibenzothiophen-3-id-2-yl)-5-phenyl-4-pyridinyl]-trimethylsilane;[2-(9-ethyl-2H-carbazol-2-id-3-yl)-5-phenyl-4-pyridinyl]-trimethylsilane;tris(iridium);tris(2-phenylpyridine);trimethyl-[5-phenyl-2-(9-phenyl-2H-carbazol-2-id-3-yl)-4-pyridinyl]silane?

The IUPAC name of [2-(3H-dibenzothiophen-3-id-2-yl)-5-phenyl-4-pyridinyl]-trimethylsilane;[2-(9-ethyl-2H-carbazol-2-id-3-yl)-5-phenyl-4-pyridinyl]-trimethylsilane;tris(iridium);tris(2-phenylpyridine);trimethyl-[5-phenyl-2-(9-phenyl-2H-carbazol-2-id-3-yl)-4-pyridinyl]silane (CID 158401536) is [2-(3H-dibenzothiophen-3-id-2-yl)-5-phenyl-4-pyridinyl]-trimethylsilane;[2-(9-ethyl-2H-carbazol-2-id-3-yl)-5-phenyl-4-pyridinyl]-trimethylsilane;tris(iridium);tris(2-phenylpyridine);trimethyl-[5-phenyl-2-(9-phenyl-2H-carbazol-2-id-3-yl)-4-pyridinyl]silane.

What is the SMILES notation for [2-(3H-dibenzothiophen-3-id-2-yl)-5-phenyl-4-pyridinyl]-trimethylsilane;[2-(9-ethyl-2H-carbazol-2-id-3-yl)-5-phenyl-4-pyridinyl]-trimethylsilane;tris(iridium);tris(2-phenylpyridine);trimethyl-[5-phenyl-2-(9-phenyl-2H-carbazol-2-id-3-yl)-4-pyridinyl]silane?

The canonical SMILES for [2-(3H-dibenzothiophen-3-id-2-yl)-5-phenyl-4-pyridinyl]-trimethylsilane;[2-(9-ethyl-2H-carbazol-2-id-3-yl)-5-phenyl-4-pyridinyl]-trimethylsilane;tris(iridium);tris(2-phenylpyridine);trimethyl-[5-phenyl-2-(9-phenyl-2H-carbazol-2-id-3-yl)-4-pyridinyl]silane is CCn1c2c[c-]c(-c3cc([Si](C)(C)C)c(-c4ccccc4)cn3)cc2c2ccccc21.C[Si](C)(C)c1cc(-c2[c-]cc3c(c2)c2ccccc2n3-c2ccccc2)ncc1-c1ccccc1.C[Si](C)(C)c1cc(-c2[c-]cc3sc4ccccc4c3c2)ncc1-c1ccccc1.[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.

What is the InChIKey of [2-(3H-dibenzothiophen-3-id-2-yl)-5-phenyl-4-pyridinyl]-trimethylsilane;[2-(9-ethyl-2H-carbazol-2-id-3-yl)-5-phenyl-4-pyridinyl]-trimethylsilane;tris(iridium);tris(2-phenylpyridine);trimethyl-[5-phenyl-2-(9-phenyl-2H-carbazol-2-id-3-yl)-4-pyridinyl]silane?

The InChIKey is PTWAPGVCVUHXQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H27N2Si.C28H27N2Si.C26H22NSSi.3C11H8N.3Ir/c1-35(2,3)32-21-29(33-22-28(32)23-12-6-4-7-13-23)24-18-19-31-27(20-24)26-16-10-11-17-30(26)34(31)25-14-8-5-9-15-25;1-5-30-26-14-10-9-13-22(26)23-17-21(15-16-27(23)30)25-18-28(31(2,3)4)24(19-29-25)20-11-7-6-8-12-20;1-29(2,3)26-16-23(27-17-22(26)18-9-5-4-6-10-18)19-13-14-25-21(15-19)20-11-7-8-12-24(20)28-25;3*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;/h4-17,19-22H,1-3H3;6-14,16-19H,5H2,1-4H3;4-12,14-17H,1-3H3;3*1-6,8-9H;;;/q6*-1;;;.

What are the key properties of [2-(3H-dibenzothiophen-3-id-2-yl)-5-phenyl-4-pyridinyl]-trimethylsilane;[2-(9-ethyl-2H-carbazol-2-id-3-yl)-5-phenyl-4-pyridinyl]-trimethylsilane;tris(iridium);tris(2-phenylpyridine);trimethyl-[5-phenyl-2-(9-phenyl-2H-carbazol-2-id-3-yl)-4-pyridinyl]silane?

[2-(3H-dibenzothiophen-3-id-2-yl)-5-phenyl-4-pyridinyl]-trimethylsilane;[2-(9-ethyl-2H-carbazol-2-id-3-yl)-5-phenyl-4-pyridinyl]-trimethylsilane;tris(iridium);tris(2-phenylpyridine);trimethyl-[5-phenyl-2-(9-phenyl-2H-carbazol-2-id-3-yl)-4-pyridinyl]silane has a molecular weight of 2335.14 g/mol, XLogP of 29.51, 14 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(3H-dibenzothiophen-3-id-2-yl)-5-phenyl-4-pyridinyl]-trimethylsilane;[2-(9-ethyl-2H-carbazol-2-id-3-yl)-5-phenyl-4-pyridinyl]-trimethylsilane;tris(iridium);tris(2-phenylpyridine);trimethyl-[5-phenyl-2-(9-phenyl-2H-carbazol-2-id-3-yl)-4-pyridinyl]silane is sourced from PubChem (CID 158401536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).