iridium;4-[4-(1-phenylethyl)-2-pyridinyl]-3H-dibenzofuran-3-ide-1-carbonitrile;trimethyl-[6-(3-phenylbenzene-6-id-1-yl)-4-propan-2-yl-3-pyridinyl]silane

C49H43IrN3OSi-2 — CID 162709319

About iridium;4-[4-(1-phenylethyl)-2-pyridinyl]-3H-dibenzofuran-3-ide-1-carbonitrile;trimethyl-[6-(3-phenylbenzene-6-id-1-yl)-4-propan-2-yl-3-pyridinyl]silane

iridium;4-[4-(1-phenylethyl)-2-pyridinyl]-3H-dibenzofuran-3-ide-1-carbonitrile;trimethyl-[6-(3-phenylbenzene-6-id-1-yl)-4-propan-2-yl-3-pyridinyl]silane (PubChem CID 162709319) has the molecular formula C49H43IrN3OSi-2 and a molecular weight of 910.21 g/mol. Its IUPAC name is iridium;4-[4-(1-phenylethyl)-2-pyridinyl]-3H-dibenzofuran-3-ide-1-carbonitrile;trimethyl-[6-(3-phenylbenzene-6-id-1-yl)-4-propan-2-yl-3-pyridinyl]silane.

Molecular Properties

• Compound Name: iridium;4-[4-(1-phenylethyl)-2-pyridinyl]-3H-dibenzofuran-3-ide-1-carbonitrile;trimethyl-[6-(3-phenylbenzene-6-id-1-yl)-4-propan-2-yl-3-pyridinyl]silane
• PubChem CID: 162709319
• Molecular Formula: C49H43IrN3OSi-2
• Molecular Weight: 910.21 g/mol
• Exact Mass: 910.28
• IUPAC Name: iridium;4-[4-(1-phenylethyl)-2-pyridinyl]-3H-dibenzofuran-3-ide-1-carbonitrile;trimethyl-[6-(3-phenylbenzene-6-id-1-yl)-4-propan-2-yl-3-pyridinyl]silane
• SMILES: CC(C)c1cc(-c2[c-]ccc(-c3ccccc3)c2)ncc1[Si](C)(C)C.CC(c1ccccc1)c1ccnc(-c2[c-]cc(C#N)c3c2oc2ccccc23)c1.[Ir]
• InChI: InChI=1S/C26H17N2O.C23H26NSi.Ir/c1-17(18-7-3-2-4-8-18)19-13-14-28-23(15-19)21-12-11-20(16-27)25-22-9-5-6-10-24(22)29-26(21)25;1-17(2)21-15-22(24-16-23(21)25(3,4)5)20-13-9-12-19(14-20)18-10-7-6-8-11-18;/h2-11,13-15,17H,1H3;6-12,14-17H,1-5H3;/q2*-1
• InChIKey: GBSINDYFZAZNNM-UHFFFAOYSA-N
• XLogP: 12.35
• TPSA: 62.71 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	910.21
LogP ≤ 5	12.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

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 iridium;4-[4-(1-phenylethyl)-2-pyridinyl]-3H-dibenzofuran-3-ide-1-carbonitrile;trimethyl-[6-(3-phenylbenzene-6-id-1-yl)-4-propan-2-yl-3-pyridinyl]silane?

The IUPAC name of iridium;4-[4-(1-phenylethyl)-2-pyridinyl]-3H-dibenzofuran-3-ide-1-carbonitrile;trimethyl-[6-(3-phenylbenzene-6-id-1-yl)-4-propan-2-yl-3-pyridinyl]silane (CID 162709319) is iridium;4-[4-(1-phenylethyl)-2-pyridinyl]-3H-dibenzofuran-3-ide-1-carbonitrile;trimethyl-[6-(3-phenylbenzene-6-id-1-yl)-4-propan-2-yl-3-pyridinyl]silane.

What is the SMILES notation for iridium;4-[4-(1-phenylethyl)-2-pyridinyl]-3H-dibenzofuran-3-ide-1-carbonitrile;trimethyl-[6-(3-phenylbenzene-6-id-1-yl)-4-propan-2-yl-3-pyridinyl]silane?

The canonical SMILES for iridium;4-[4-(1-phenylethyl)-2-pyridinyl]-3H-dibenzofuran-3-ide-1-carbonitrile;trimethyl-[6-(3-phenylbenzene-6-id-1-yl)-4-propan-2-yl-3-pyridinyl]silane is CC(C)c1cc(-c2[c-]ccc(-c3ccccc3)c2)ncc1[Si](C)(C)C.CC(c1ccccc1)c1ccnc(-c2[c-]cc(C#N)c3c2oc2ccccc23)c1.[Ir].

What is the InChIKey of iridium;4-[4-(1-phenylethyl)-2-pyridinyl]-3H-dibenzofuran-3-ide-1-carbonitrile;trimethyl-[6-(3-phenylbenzene-6-id-1-yl)-4-propan-2-yl-3-pyridinyl]silane?

The InChIKey is GBSINDYFZAZNNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17N2O.C23H26NSi.Ir/c1-17(18-7-3-2-4-8-18)19-13-14-28-23(15-19)21-12-11-20(16-27)25-22-9-5-6-10-24(22)29-26(21)25;1-17(2)21-15-22(24-16-23(21)25(3,4)5)20-13-9-12-19(14-20)18-10-7-6-8-11-18;/h2-11,13-15,17H,1H3;6-12,14-17H,1-5H3;/q2*-1;.

What are the key properties of iridium;4-[4-(1-phenylethyl)-2-pyridinyl]-3H-dibenzofuran-3-ide-1-carbonitrile;trimethyl-[6-(3-phenylbenzene-6-id-1-yl)-4-propan-2-yl-3-pyridinyl]silane?

iridium;4-[4-(1-phenylethyl)-2-pyridinyl]-3H-dibenzofuran-3-ide-1-carbonitrile;trimethyl-[6-(3-phenylbenzene-6-id-1-yl)-4-propan-2-yl-3-pyridinyl]silane has a molecular weight of 910.21 g/mol, XLogP of 12.35, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for iridium;4-[4-(1-phenylethyl)-2-pyridinyl]-3H-dibenzofuran-3-ide-1-carbonitrile;trimethyl-[6-(3-phenylbenzene-6-id-1-yl)-4-propan-2-yl-3-pyridinyl]silane is sourced from PubChem (CID 162709319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).