iridium;2-phenylpyridine;3-(3H-pyridin-3-id-2-yl)-6-pyridin-2-yl-1,2,4,5-tetrazine

C23H15IrN7-2 — CID 153468232

About iridium;2-phenylpyridine;3-(3H-pyridin-3-id-2-yl)-6-pyridin-2-yl-1,2,4,5-tetrazine

iridium;2-phenylpyridine;3-(3H-pyridin-3-id-2-yl)-6-pyridin-2-yl-1,2,4,5-tetrazine (PubChem CID 153468232) has the molecular formula C23H15IrN7-2 and a molecular weight of 581.64 g/mol. Its IUPAC name is iridium;2-phenylpyridine;3-(3H-pyridin-3-id-2-yl)-6-pyridin-2-yl-1,2,4,5-tetrazine.

Molecular Properties

• Compound Name: iridium;2-phenylpyridine;3-(3H-pyridin-3-id-2-yl)-6-pyridin-2-yl-1,2,4,5-tetrazine
• PubChem CID: 153468232
• Molecular Formula: C23H15IrN7-2
• Molecular Weight: 581.64 g/mol
• Exact Mass: 582.10
• IUPAC Name: iridium;2-phenylpyridine;3-(3H-pyridin-3-id-2-yl)-6-pyridin-2-yl-1,2,4,5-tetrazine
• SMILES: [Ir].[c-]1ccccc1-c1ccccn1.[c-]1cccnc1-c1nnc(-c2ccccn2)nn1
• InChI: InChI=1S/C12H7N6.C11H8N.Ir/c1-3-7-13-9(5-1)11-15-17-12(18-16-11)10-6-2-4-8-14-10;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h1-5,7-8H;1-6,8-9H;/q2*-1
• InChIKey: RRENOBUPGNOONR-UHFFFAOYSA-N
• XLogP: 3.74
• TPSA: 90.23 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	581.64
LogP ≤ 5	3.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of iridium;2-phenylpyridine;3-(3H-pyridin-3-id-2-yl)-6-pyridin-2-yl-1,2,4,5-tetrazine?

The IUPAC name of iridium;2-phenylpyridine;3-(3H-pyridin-3-id-2-yl)-6-pyridin-2-yl-1,2,4,5-tetrazine (CID 153468232) is iridium;2-phenylpyridine;3-(3H-pyridin-3-id-2-yl)-6-pyridin-2-yl-1,2,4,5-tetrazine.

What is the SMILES notation for iridium;2-phenylpyridine;3-(3H-pyridin-3-id-2-yl)-6-pyridin-2-yl-1,2,4,5-tetrazine?

The canonical SMILES for iridium;2-phenylpyridine;3-(3H-pyridin-3-id-2-yl)-6-pyridin-2-yl-1,2,4,5-tetrazine is [Ir].[c-]1ccccc1-c1ccccn1.[c-]1cccnc1-c1nnc(-c2ccccn2)nn1.

What is the InChIKey of iridium;2-phenylpyridine;3-(3H-pyridin-3-id-2-yl)-6-pyridin-2-yl-1,2,4,5-tetrazine?

The InChIKey is RRENOBUPGNOONR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7N6.C11H8N.Ir/c1-3-7-13-9(5-1)11-15-17-12(18-16-11)10-6-2-4-8-14-10;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h1-5,7-8H;1-6,8-9H;/q2*-1;.

What are the key properties of iridium;2-phenylpyridine;3-(3H-pyridin-3-id-2-yl)-6-pyridin-2-yl-1,2,4,5-tetrazine?

iridium;2-phenylpyridine;3-(3H-pyridin-3-id-2-yl)-6-pyridin-2-yl-1,2,4,5-tetrazine has a molecular weight of 581.64 g/mol, XLogP of 3.74, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for iridium;2-phenylpyridine;3-(3H-pyridin-3-id-2-yl)-6-pyridin-2-yl-1,2,4,5-tetrazine is sourced from PubChem (CID 153468232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).