[6-(3H-dibenzothiophen-3-id-2-yl)-4-ethyl-3-pyridinyl]-trimethylsilane;[6-(9-ethyl-2H-carbazol-2-id-3-yl)-4-phenyl-3-pyridinyl]-trimethylsilane;tris(iridium);trimethyl-[4-(2-methylpropyl)-6-(9-phenyl-2H-carbazol-2-id-3-yl)-3-pyridinyl]silane

C80H80Ir3N5SSi3-3 — CID 162140031

About [6-(3H-dibenzothiophen-3-id-2-yl)-4-ethyl-3-pyridinyl]-trimethylsilane;[6-(9-ethyl-2H-carbazol-2-id-3-yl)-4-phenyl-3-pyridinyl]-trimethylsilane;tris(iridium);trimethyl-[4-(2-methylpropyl)-6-(9-phenyl-2H-carbazol-2-id-3-yl)-3-pyridinyl]silane

[6-(3H-dibenzothiophen-3-id-2-yl)-4-ethyl-3-pyridinyl]-trimethylsilane;[6-(9-ethyl-2H-carbazol-2-id-3-yl)-4-phenyl-3-pyridinyl]-trimethylsilane;tris(iridium);trimethyl-[4-(2-methylpropyl)-6-(9-phenyl-2H-carbazol-2-id-3-yl)-3-pyridinyl]silane (PubChem CID 162140031) has the molecular formula C80H80Ir3N5SSi3-3 and a molecular weight of 1804.53 g/mol. Its IUPAC name is [6-(3H-dibenzothiophen-3-id-2-yl)-4-ethyl-3-pyridinyl]-trimethylsilane;[6-(9-ethyl-2H-carbazol-2-id-3-yl)-4-phenyl-3-pyridinyl]-trimethylsilane;tris(iridium);trimethyl-[4-(2-methylpropyl)-6-(9-phenyl-2H-carbazol-2-id-3-yl)-3-pyridinyl]silane.

Molecular Properties

• Compound Name: [6-(3H-dibenzothiophen-3-id-2-yl)-4-ethyl-3-pyridinyl]-trimethylsilane;[6-(9-ethyl-2H-carbazol-2-id-3-yl)-4-phenyl-3-pyridinyl]-trimethylsilane;tris(iridium);trimethyl-[4-(2-methylpropyl)-6-(9-phenyl-2H-carbazol-2-id-3-yl)-3-pyridinyl]silane
• PubChem CID: 162140031
• Molecular Formula: C80H80Ir3N5SSi3-3
• Molecular Weight: 1804.53 g/mol
• Exact Mass: 1805.43
• IUPAC Name: [6-(3H-dibenzothiophen-3-id-2-yl)-4-ethyl-3-pyridinyl]-trimethylsilane;[6-(9-ethyl-2H-carbazol-2-id-3-yl)-4-phenyl-3-pyridinyl]-trimethylsilane;tris(iridium);trimethyl-[4-(2-methylpropyl)-6-(9-phenyl-2H-carbazol-2-id-3-yl)-3-pyridinyl]silane
• SMILES: CC(C)Cc1cc(-c2[c-]cc3c(c2)c2ccccc2n3-c2ccccc2)ncc1[Si](C)(C)C.CCc1cc(-c2[c-]cc3sc4ccccc4c3c2)ncc1[Si](C)(C)C.CCn1c2c[c-]c(-c3cc(-c4ccccc4)c([Si](C)(C)C)cn3)cc2c2ccccc21.[Ir].[Ir].[Ir]
• InChI: InChI=1S/C30H31N2Si.C28H27N2Si.C22H22NSSi.3Ir/c1-21(2)17-23-19-27(31-20-30(23)33(3,4)5)22-15-16-29-26(18-22)25-13-9-10-14-28(25)32(29)24-11-7-6-8-12-24;1-5-30-26-14-10-9-13-22(26)24-17-21(15-16-27(24)30)25-18-23(20-11-7-6-8-12-20)28(19-29-25)31(2,3)4;1-5-15-13-19(23-14-22(15)25(2,3)4)16-10-11-21-18(12-16)17-8-6-7-9-20(17)24-21;;;/h6-14,16,18-21H,17H2,1-5H3;6-14,16-19H,5H2,1-4H3;6-9,11-14H,5H2,1-4H3;;;/q3*-1
• InChIKey: KPJXEEPMMZYUBV-UHFFFAOYSA-N
• XLogP: 20.30
• TPSA: 48.53 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 12
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1804.53
LogP ≤ 5	20.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

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 [6-(3H-dibenzothiophen-3-id-2-yl)-4-ethyl-3-pyridinyl]-trimethylsilane;[6-(9-ethyl-2H-carbazol-2-id-3-yl)-4-phenyl-3-pyridinyl]-trimethylsilane;tris(iridium);trimethyl-[4-(2-methylpropyl)-6-(9-phenyl-2H-carbazol-2-id-3-yl)-3-pyridinyl]silane?

The IUPAC name of [6-(3H-dibenzothiophen-3-id-2-yl)-4-ethyl-3-pyridinyl]-trimethylsilane;[6-(9-ethyl-2H-carbazol-2-id-3-yl)-4-phenyl-3-pyridinyl]-trimethylsilane;tris(iridium);trimethyl-[4-(2-methylpropyl)-6-(9-phenyl-2H-carbazol-2-id-3-yl)-3-pyridinyl]silane (CID 162140031) is [6-(3H-dibenzothiophen-3-id-2-yl)-4-ethyl-3-pyridinyl]-trimethylsilane;[6-(9-ethyl-2H-carbazol-2-id-3-yl)-4-phenyl-3-pyridinyl]-trimethylsilane;tris(iridium);trimethyl-[4-(2-methylpropyl)-6-(9-phenyl-2H-carbazol-2-id-3-yl)-3-pyridinyl]silane.

What is the SMILES notation for [6-(3H-dibenzothiophen-3-id-2-yl)-4-ethyl-3-pyridinyl]-trimethylsilane;[6-(9-ethyl-2H-carbazol-2-id-3-yl)-4-phenyl-3-pyridinyl]-trimethylsilane;tris(iridium);trimethyl-[4-(2-methylpropyl)-6-(9-phenyl-2H-carbazol-2-id-3-yl)-3-pyridinyl]silane?

The canonical SMILES for [6-(3H-dibenzothiophen-3-id-2-yl)-4-ethyl-3-pyridinyl]-trimethylsilane;[6-(9-ethyl-2H-carbazol-2-id-3-yl)-4-phenyl-3-pyridinyl]-trimethylsilane;tris(iridium);trimethyl-[4-(2-methylpropyl)-6-(9-phenyl-2H-carbazol-2-id-3-yl)-3-pyridinyl]silane is CC(C)Cc1cc(-c2[c-]cc3c(c2)c2ccccc2n3-c2ccccc2)ncc1[Si](C)(C)C.CCc1cc(-c2[c-]cc3sc4ccccc4c3c2)ncc1[Si](C)(C)C.CCn1c2c[c-]c(-c3cc(-c4ccccc4)c([Si](C)(C)C)cn3)cc2c2ccccc21.[Ir].[Ir].[Ir].

What is the InChIKey of [6-(3H-dibenzothiophen-3-id-2-yl)-4-ethyl-3-pyridinyl]-trimethylsilane;[6-(9-ethyl-2H-carbazol-2-id-3-yl)-4-phenyl-3-pyridinyl]-trimethylsilane;tris(iridium);trimethyl-[4-(2-methylpropyl)-6-(9-phenyl-2H-carbazol-2-id-3-yl)-3-pyridinyl]silane?

The InChIKey is KPJXEEPMMZYUBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N2Si.C28H27N2Si.C22H22NSSi.3Ir/c1-21(2)17-23-19-27(31-20-30(23)33(3,4)5)22-15-16-29-26(18-22)25-13-9-10-14-28(25)32(29)24-11-7-6-8-12-24;1-5-30-26-14-10-9-13-22(26)24-17-21(15-16-27(24)30)25-18-23(20-11-7-6-8-12-20)28(19-29-25)31(2,3)4;1-5-15-13-19(23-14-22(15)25(2,3)4)16-10-11-21-18(12-16)17-8-6-7-9-20(17)24-21;;;/h6-14,16,18-21H,17H2,1-5H3;6-14,16-19H,5H2,1-4H3;6-9,11-14H,5H2,1-4H3;;;/q3*-1;;;.

What are the key properties of [6-(3H-dibenzothiophen-3-id-2-yl)-4-ethyl-3-pyridinyl]-trimethylsilane;[6-(9-ethyl-2H-carbazol-2-id-3-yl)-4-phenyl-3-pyridinyl]-trimethylsilane;tris(iridium);trimethyl-[4-(2-methylpropyl)-6-(9-phenyl-2H-carbazol-2-id-3-yl)-3-pyridinyl]silane?

[6-(3H-dibenzothiophen-3-id-2-yl)-4-ethyl-3-pyridinyl]-trimethylsilane;[6-(9-ethyl-2H-carbazol-2-id-3-yl)-4-phenyl-3-pyridinyl]-trimethylsilane;tris(iridium);trimethyl-[4-(2-methylpropyl)-6-(9-phenyl-2H-carbazol-2-id-3-yl)-3-pyridinyl]silane has a molecular weight of 1804.53 g/mol, XLogP of 20.30, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [6-(3H-dibenzothiophen-3-id-2-yl)-4-ethyl-3-pyridinyl]-trimethylsilane;[6-(9-ethyl-2H-carbazol-2-id-3-yl)-4-phenyl-3-pyridinyl]-trimethylsilane;tris(iridium);trimethyl-[4-(2-methylpropyl)-6-(9-phenyl-2H-carbazol-2-id-3-yl)-3-pyridinyl]silane is sourced from PubChem (CID 162140031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).