tris(iridium);trimethyl-[6-(10-phenyl-3H-triphenylen-3-id-2-yl)-3-pyridinyl]silane;trimethyl-[6-[10-(2-propan-2-ylphenyl)-3H-triphenylen-3-id-2-yl]-3-pyridinyl]silane;trimethyl-[6-[11-(2-propan-2-ylphenyl)-3H-triphenylen-3-id-2-yl]-3-pyridinyl]silane;tris(trimethyl-(3-pyridin-2-ylbenzene-4-id-1-yl)silane)

C144H138Ir3N6Si6-6 — CID 160926475

About tris(iridium);trimethyl-[6-(10-phenyl-3H-triphenylen-3-id-2-yl)-3-pyridinyl]silane;trimethyl-[6-[10-(2-propan-2-ylphenyl)-3H-triphenylen-3-id-2-yl]-3-pyridinyl]silane;trimethyl-[6-[11-(2-propan-2-ylphenyl)-3H-triphenylen-3-id-2-yl]-3-pyridinyl]silane;tris(trimethyl-(3-pyridin-2-ylbenzene-4-id-1-yl)silane)

tris(iridium);trimethyl-[6-(10-phenyl-3H-triphenylen-3-id-2-yl)-3-pyridinyl]silane;trimethyl-[6-[10-(2-propan-2-ylphenyl)-3H-triphenylen-3-id-2-yl]-3-pyridinyl]silane;trimethyl-[6-[11-(2-propan-2-ylphenyl)-3H-triphenylen-3-id-2-yl]-3-pyridinyl]silane;tris(trimethyl-(3-pyridin-2-ylbenzene-4-id-1-yl)silane) (PubChem CID 160926475) has the molecular formula C144H138Ir3N6Si6-6 and a molecular weight of 2697.90 g/mol. Its IUPAC name is tris(iridium);trimethyl-[6-(10-phenyl-3H-triphenylen-3-id-2-yl)-3-pyridinyl]silane;trimethyl-[6-[10-(2-propan-2-ylphenyl)-3H-triphenylen-3-id-2-yl]-3-pyridinyl]silane;trimethyl-[6-[11-(2-propan-2-ylphenyl)-3H-triphenylen-3-id-2-yl]-3-pyridinyl]silane;tris(trimethyl-(3-pyridin-2-ylbenzene-4-id-1-yl)silane).

Molecular Properties

• Compound Name: tris(iridium);trimethyl-[6-(10-phenyl-3H-triphenylen-3-id-2-yl)-3-pyridinyl]silane;trimethyl-[6-[10-(2-propan-2-ylphenyl)-3H-triphenylen-3-id-2-yl]-3-pyridinyl]silane;trimethyl-[6-[11-(2-propan-2-ylphenyl)-3H-triphenylen-3-id-2-yl]-3-pyridinyl]silane;tris(trimethyl-(3-pyridin-2-ylbenzene-4-id-1-yl)silane)
• PubChem CID: 160926475
• Molecular Formula: C144H138Ir3N6Si6-6
• Molecular Weight: 2697.90 g/mol
• Exact Mass: 2697.85
• IUPAC Name: tris(iridium);trimethyl-[6-(10-phenyl-3H-triphenylen-3-id-2-yl)-3-pyridinyl]silane;trimethyl-[6-[10-(2-propan-2-ylphenyl)-3H-triphenylen-3-id-2-yl]-3-pyridinyl]silane;trimethyl-[6-[11-(2-propan-2-ylphenyl)-3H-triphenylen-3-id-2-yl]-3-pyridinyl]silane;tris(trimethyl-(3-pyridin-2-ylbenzene-4-id-1-yl)silane)
• SMILES: CC(C)c1ccccc1-c1ccc2c3cc(-c4ccc([Si](C)(C)C)cn4)[c-]cc3c3ccccc3c2c1.CC(C)c1ccccc1-c1ccc2c3ccccc3c3c[c-]c(-c4ccc([Si](C)(C)C)cn4)cc3c2c1.C[Si](C)(C)c1cc[c-]c(-c2ccccn2)c1.C[Si](C)(C)c1cc[c-]c(-c2ccccn2)c1.C[Si](C)(C)c1cc[c-]c(-c2ccccn2)c1.C[Si](C)(C)c1ccc(-c2[c-]cc3c4ccccc4c4cc(-c5ccccc5)ccc4c3c2)nc1.[Ir].[Ir].[Ir]
• InChI: InChI=1S/2C35H32NSi.C32H26NSi.3C14H16NSi.3Ir/c1-23(2)27-10-6-7-11-28(27)24-14-17-32-33(20-24)30-13-9-8-12-29(30)31-18-15-25(21-34(31)32)35-19-16-26(22-36-35)37(3,4)5;1-23(2)27-10-6-7-11-28(27)24-14-17-31-29-12-8-9-13-30(29)32-18-15-25(21-34(32)33(31)20-24)35-19-16-26(22-36-35)37(3,4)5;1-34(2,3)25-15-18-32(33-21-25)24-14-17-28-26-11-7-8-12-27(26)30-19-23(22-9-5-4-6-10-22)13-16-29(30)31(28)20-24;3*1-16(2,3)13-8-6-7-12(11-13)14-9-4-5-10-15-14;;;/h2*6-14,16-23H,1-5H3;4-13,15-21H,1-3H3;3*4-6,8-11H,1-3H3;;;/q6*-1
• InChIKey: VKAWFIOPTLFUKU-UHFFFAOYSA-N
• XLogP: 36.18
• TPSA: 77.34 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 17
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2697.90
LogP ≤ 5	36.18
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'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tris(iridium);trimethyl-[6-(10-phenyl-3H-triphenylen-3-id-2-yl)-3-pyridinyl]silane;trimethyl-[6-[10-(2-propan-2-ylphenyl)-3H-triphenylen-3-id-2-yl]-3-pyridinyl]silane;trimethyl-[6-[11-(2-propan-2-ylphenyl)-3H-triphenylen-3-id-2-yl]-3-pyridinyl]silane;tris(trimethyl-(3-pyridin-2-ylbenzene-4-id-1-yl)silane)?

The IUPAC name of tris(iridium);trimethyl-[6-(10-phenyl-3H-triphenylen-3-id-2-yl)-3-pyridinyl]silane;trimethyl-[6-[10-(2-propan-2-ylphenyl)-3H-triphenylen-3-id-2-yl]-3-pyridinyl]silane;trimethyl-[6-[11-(2-propan-2-ylphenyl)-3H-triphenylen-3-id-2-yl]-3-pyridinyl]silane;tris(trimethyl-(3-pyridin-2-ylbenzene-4-id-1-yl)silane) (CID 160926475) is tris(iridium);trimethyl-[6-(10-phenyl-3H-triphenylen-3-id-2-yl)-3-pyridinyl]silane;trimethyl-[6-[10-(2-propan-2-ylphenyl)-3H-triphenylen-3-id-2-yl]-3-pyridinyl]silane;trimethyl-[6-[11-(2-propan-2-ylphenyl)-3H-triphenylen-3-id-2-yl]-3-pyridinyl]silane;tris(trimethyl-(3-pyridin-2-ylbenzene-4-id-1-yl)silane).

What is the SMILES notation for tris(iridium);trimethyl-[6-(10-phenyl-3H-triphenylen-3-id-2-yl)-3-pyridinyl]silane;trimethyl-[6-[10-(2-propan-2-ylphenyl)-3H-triphenylen-3-id-2-yl]-3-pyridinyl]silane;trimethyl-[6-[11-(2-propan-2-ylphenyl)-3H-triphenylen-3-id-2-yl]-3-pyridinyl]silane;tris(trimethyl-(3-pyridin-2-ylbenzene-4-id-1-yl)silane)?

The canonical SMILES for tris(iridium);trimethyl-[6-(10-phenyl-3H-triphenylen-3-id-2-yl)-3-pyridinyl]silane;trimethyl-[6-[10-(2-propan-2-ylphenyl)-3H-triphenylen-3-id-2-yl]-3-pyridinyl]silane;trimethyl-[6-[11-(2-propan-2-ylphenyl)-3H-triphenylen-3-id-2-yl]-3-pyridinyl]silane;tris(trimethyl-(3-pyridin-2-ylbenzene-4-id-1-yl)silane) is CC(C)c1ccccc1-c1ccc2c3cc(-c4ccc([Si](C)(C)C)cn4)[c-]cc3c3ccccc3c2c1.CC(C)c1ccccc1-c1ccc2c3ccccc3c3c[c-]c(-c4ccc([Si](C)(C)C)cn4)cc3c2c1.C[Si](C)(C)c1cc[c-]c(-c2ccccn2)c1.C[Si](C)(C)c1cc[c-]c(-c2ccccn2)c1.C[Si](C)(C)c1cc[c-]c(-c2ccccn2)c1.C[Si](C)(C)c1ccc(-c2[c-]cc3c4ccccc4c4cc(-c5ccccc5)ccc4c3c2)nc1.[Ir].[Ir].[Ir].

What is the InChIKey of tris(iridium);trimethyl-[6-(10-phenyl-3H-triphenylen-3-id-2-yl)-3-pyridinyl]silane;trimethyl-[6-[10-(2-propan-2-ylphenyl)-3H-triphenylen-3-id-2-yl]-3-pyridinyl]silane;trimethyl-[6-[11-(2-propan-2-ylphenyl)-3H-triphenylen-3-id-2-yl]-3-pyridinyl]silane;tris(trimethyl-(3-pyridin-2-ylbenzene-4-id-1-yl)silane)?

The InChIKey is VKAWFIOPTLFUKU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C35H32NSi.C32H26NSi.3C14H16NSi.3Ir/c1-23(2)27-10-6-7-11-28(27)24-14-17-32-33(20-24)30-13-9-8-12-29(30)31-18-15-25(21-34(31)32)35-19-16-26(22-36-35)37(3,4)5;1-23(2)27-10-6-7-11-28(27)24-14-17-31-29-12-8-9-13-30(29)32-18-15-25(21-34(32)33(31)20-24)35-19-16-26(22-36-35)37(3,4)5;1-34(2,3)25-15-18-32(33-21-25)24-14-17-28-26-11-7-8-12-27(26)30-19-23(22-9-5-4-6-10-22)13-16-29(30)31(28)20-24;3*1-16(2,3)13-8-6-7-12(11-13)14-9-4-5-10-15-14;;;/h2*6-14,16-23H,1-5H3;4-13,15-21H,1-3H3;3*4-6,8-11H,1-3H3;;;/q6*-1;;;.

What are the key properties of tris(iridium);trimethyl-[6-(10-phenyl-3H-triphenylen-3-id-2-yl)-3-pyridinyl]silane;trimethyl-[6-[10-(2-propan-2-ylphenyl)-3H-triphenylen-3-id-2-yl]-3-pyridinyl]silane;trimethyl-[6-[11-(2-propan-2-ylphenyl)-3H-triphenylen-3-id-2-yl]-3-pyridinyl]silane;tris(trimethyl-(3-pyridin-2-ylbenzene-4-id-1-yl)silane)?

tris(iridium);trimethyl-[6-(10-phenyl-3H-triphenylen-3-id-2-yl)-3-pyridinyl]silane;trimethyl-[6-[10-(2-propan-2-ylphenyl)-3H-triphenylen-3-id-2-yl]-3-pyridinyl]silane;trimethyl-[6-[11-(2-propan-2-ylphenyl)-3H-triphenylen-3-id-2-yl]-3-pyridinyl]silane;tris(trimethyl-(3-pyridin-2-ylbenzene-4-id-1-yl)silane) has a molecular weight of 2697.90 g/mol, XLogP of 36.18, 17 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for tris(iridium);trimethyl-[6-(10-phenyl-3H-triphenylen-3-id-2-yl)-3-pyridinyl]silane;trimethyl-[6-[10-(2-propan-2-ylphenyl)-3H-triphenylen-3-id-2-yl]-3-pyridinyl]silane;trimethyl-[6-[11-(2-propan-2-ylphenyl)-3H-triphenylen-3-id-2-yl]-3-pyridinyl]silane;tris(trimethyl-(3-pyridin-2-ylbenzene-4-id-1-yl)silane) is sourced from PubChem (CID 160926475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).