carbanide;iridium;2-phenyl-6-(trideuteriomethyl)pyridine;trimethyl-[6-(10-naphthalen-1-yl-3H-triphenylen-3-id-2-yl)-3-pyridinyl]silane

C49H42IrN2Si-2 — CID 164737843

About carbanide;iridium;2-phenyl-6-(trideuteriomethyl)pyridine;trimethyl-[6-(10-naphthalen-1-yl-3H-triphenylen-3-id-2-yl)-3-pyridinyl]silane

carbanide;iridium;2-phenyl-6-(trideuteriomethyl)pyridine;trimethyl-[6-(10-naphthalen-1-yl-3H-triphenylen-3-id-2-yl)-3-pyridinyl]silane (PubChem CID 164737843) has the molecular formula C49H42IrN2Si-2 and a molecular weight of 882.21 g/mol. Its IUPAC name is carbanide;iridium;2-phenyl-6-(trideuteriomethyl)pyridine;trimethyl-[6-(10-naphthalen-1-yl-3H-triphenylen-3-id-2-yl)-3-pyridinyl]silane.

Molecular Properties

• Compound Name: carbanide;iridium;2-phenyl-6-(trideuteriomethyl)pyridine;trimethyl-[6-(10-naphthalen-1-yl-3H-triphenylen-3-id-2-yl)-3-pyridinyl]silane
• PubChem CID: 164737843
• Molecular Formula: C49H42IrN2Si-2
• Molecular Weight: 882.21 g/mol
• Exact Mass: 882.29
• IUPAC Name: carbanide;iridium;2-phenyl-6-(trideuteriomethyl)pyridine;trimethyl-[6-(10-naphthalen-1-yl-3H-triphenylen-3-id-2-yl)-3-pyridinyl]silane
• SMILES: C[Si](C)(C)c1ccc(-c2[c-]cc3c4ccccc4c4cc(-c5cccc6ccccc56)ccc4c3c2)nc1.[2H]C([2H])([2H])c1cccc(-c2ccccc2)n1.[CH3-].[Ir]
• InChI: InChI=1S/C36H28NSi.C12H11N.CH3.Ir/c1-38(2,3)27-17-20-36(37-23-27)26-16-19-32-30-12-6-7-13-31(30)34-21-25(15-18-33(34)35(32)22-26)29-14-8-10-24-9-4-5-11-28(24)29;1-10-6-5-9-12(13-10)11-7-3-2-4-8-11;;/h4-15,17-23H,1-3H3;2-9H,1H3;1H3;/q-1;;-1;/i;1D3
• InChIKey: IFJHHEKRIUJNGK-LPGALAGZSA-N
• XLogP: 12.88
• TPSA: 25.78 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	882.21
LogP ≤ 5	12.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

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 carbanide;iridium;2-phenyl-6-(trideuteriomethyl)pyridine;trimethyl-[6-(10-naphthalen-1-yl-3H-triphenylen-3-id-2-yl)-3-pyridinyl]silane?

The IUPAC name of carbanide;iridium;2-phenyl-6-(trideuteriomethyl)pyridine;trimethyl-[6-(10-naphthalen-1-yl-3H-triphenylen-3-id-2-yl)-3-pyridinyl]silane (CID 164737843) is carbanide;iridium;2-phenyl-6-(trideuteriomethyl)pyridine;trimethyl-[6-(10-naphthalen-1-yl-3H-triphenylen-3-id-2-yl)-3-pyridinyl]silane.

What is the SMILES notation for carbanide;iridium;2-phenyl-6-(trideuteriomethyl)pyridine;trimethyl-[6-(10-naphthalen-1-yl-3H-triphenylen-3-id-2-yl)-3-pyridinyl]silane?

The canonical SMILES for carbanide;iridium;2-phenyl-6-(trideuteriomethyl)pyridine;trimethyl-[6-(10-naphthalen-1-yl-3H-triphenylen-3-id-2-yl)-3-pyridinyl]silane is C[Si](C)(C)c1ccc(-c2[c-]cc3c4ccccc4c4cc(-c5cccc6ccccc56)ccc4c3c2)nc1.[2H]C([2H])([2H])c1cccc(-c2ccccc2)n1.[CH3-].[Ir].

What is the InChIKey of carbanide;iridium;2-phenyl-6-(trideuteriomethyl)pyridine;trimethyl-[6-(10-naphthalen-1-yl-3H-triphenylen-3-id-2-yl)-3-pyridinyl]silane?

The InChIKey is IFJHHEKRIUJNGK-LPGALAGZSA-N. The full InChI is InChI=1S/C36H28NSi.C12H11N.CH3.Ir/c1-38(2,3)27-17-20-36(37-23-27)26-16-19-32-30-12-6-7-13-31(30)34-21-25(15-18-33(34)35(32)22-26)29-14-8-10-24-9-4-5-11-28(24)29;1-10-6-5-9-12(13-10)11-7-3-2-4-8-11;;/h4-15,17-23H,1-3H3;2-9H,1H3;1H3;/q-1;;-1;/i;1D3;;.

What are the key properties of carbanide;iridium;2-phenyl-6-(trideuteriomethyl)pyridine;trimethyl-[6-(10-naphthalen-1-yl-3H-triphenylen-3-id-2-yl)-3-pyridinyl]silane?

carbanide;iridium;2-phenyl-6-(trideuteriomethyl)pyridine;trimethyl-[6-(10-naphthalen-1-yl-3H-triphenylen-3-id-2-yl)-3-pyridinyl]silane has a molecular weight of 882.21 g/mol, XLogP of 12.88, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for carbanide;iridium;2-phenyl-6-(trideuteriomethyl)pyridine;trimethyl-[6-(10-naphthalen-1-yl-3H-triphenylen-3-id-2-yl)-3-pyridinyl]silane is sourced from PubChem (CID 164737843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).