bis(iridium);bis(2-phenyl-5-phenylselenopheno[2,3-c]pyridine);trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane

C56H48Ir2N3Se2Si-3 — CID 162235422

About bis(iridium);bis(2-phenyl-5-phenylselenopheno[2,3-c]pyridine);trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane

bis(iridium);bis(2-phenyl-5-phenylselenopheno[2,3-c]pyridine);trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane (PubChem CID 162235422) has the molecular formula C56H48Ir2N3Se2Si-3 and a molecular weight of 1333.46 g/mol. Its IUPAC name is bis(iridium);bis(2-phenyl-5-phenylselenopheno[2,3-c]pyridine);trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane.

Molecular Properties

• Compound Name: bis(iridium);bis(2-phenyl-5-phenylselenopheno[2,3-c]pyridine);trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
• PubChem CID: 162235422
• Molecular Formula: C56H48Ir2N3Se2Si-3
• Molecular Weight: 1333.46 g/mol
• Exact Mass: 1336.12
• IUPAC Name: bis(iridium);bis(2-phenyl-5-phenylselenopheno[2,3-c]pyridine);trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
• SMILES: CC(C)Cc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.[Ir].[Ir].[c-]1ccccc1-c1cc2cc(-c3ccccc3)[se]c2cn1.[c-]1ccccc1-c1cc2cc(-c3ccccc3)[se]c2cn1
• InChI: InChI=1S/2C19H12NSe.C18H24NSi.2Ir/c2*1-3-7-14(8-4-1)17-11-16-12-18(21-19(16)13-20-17)15-9-5-2-6-10-15;1-14(2)11-16-12-17(15-9-7-6-8-10-15)19-13-18(16)20(3,4)5;;/h2*1-7,9-13H;6-9,12-14H,11H2,1-5H3;;/q3*-1
• InChIKey: LJVDTXSVCCNETL-UHFFFAOYSA-N
• XLogP: 13.14
• TPSA: 38.67 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1333.46
LogP ≤ 5	13.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

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 bis(iridium);bis(2-phenyl-5-phenylselenopheno[2,3-c]pyridine);trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane?

The IUPAC name of bis(iridium);bis(2-phenyl-5-phenylselenopheno[2,3-c]pyridine);trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane (CID 162235422) is bis(iridium);bis(2-phenyl-5-phenylselenopheno[2,3-c]pyridine);trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane.

What is the SMILES notation for bis(iridium);bis(2-phenyl-5-phenylselenopheno[2,3-c]pyridine);trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane?

The canonical SMILES for bis(iridium);bis(2-phenyl-5-phenylselenopheno[2,3-c]pyridine);trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane is CC(C)Cc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.[Ir].[Ir].[c-]1ccccc1-c1cc2cc(-c3ccccc3)[se]c2cn1.[c-]1ccccc1-c1cc2cc(-c3ccccc3)[se]c2cn1.

What is the InChIKey of bis(iridium);bis(2-phenyl-5-phenylselenopheno[2,3-c]pyridine);trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane?

The InChIKey is LJVDTXSVCCNETL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C19H12NSe.C18H24NSi.2Ir/c2*1-3-7-14(8-4-1)17-11-16-12-18(21-19(16)13-20-17)15-9-5-2-6-10-15;1-14(2)11-16-12-17(15-9-7-6-8-10-15)19-13-18(16)20(3,4)5;;/h2*1-7,9-13H;6-9,12-14H,11H2,1-5H3;;/q3*-1;;.

What are the key properties of bis(iridium);bis(2-phenyl-5-phenylselenopheno[2,3-c]pyridine);trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane?

bis(iridium);bis(2-phenyl-5-phenylselenopheno[2,3-c]pyridine);trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane has a molecular weight of 1333.46 g/mol, XLogP of 13.14, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for bis(iridium);bis(2-phenyl-5-phenylselenopheno[2,3-c]pyridine);trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane is sourced from PubChem (CID 162235422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).