2,4-dimethyl-6-[6-(1,1,3,3-tetramethyl-2,6-dihydroinden-6-id-5-yl)-3-pyridinyl]-1,3,5-triazine;iridium

C23H25IrN4- — CID 140826429

About 2,4-dimethyl-6-[6-(1,1,3,3-tetramethyl-2,6-dihydroinden-6-id-5-yl)-3-pyridinyl]-1,3,5-triazine;iridium

2,4-dimethyl-6-[6-(1,1,3,3-tetramethyl-2,6-dihydroinden-6-id-5-yl)-3-pyridinyl]-1,3,5-triazine;iridium (PubChem CID 140826429) has the molecular formula C23H25IrN4- and a molecular weight of 549.70 g/mol. Its IUPAC name is 2,4-dimethyl-6-[6-(1,1,3,3-tetramethyl-2,6-dihydroinden-6-id-5-yl)-3-pyridinyl]-1,3,5-triazine;iridium.

Molecular Properties

• Compound Name: 2,4-dimethyl-6-[6-(1,1,3,3-tetramethyl-2,6-dihydroinden-6-id-5-yl)-3-pyridinyl]-1,3,5-triazine;iridium
• PubChem CID: 140826429
• Molecular Formula: C23H25IrN4-
• Molecular Weight: 549.70 g/mol
• Exact Mass: 550.17
• IUPAC Name: 2,4-dimethyl-6-[6-(1,1,3,3-tetramethyl-2,6-dihydroinden-6-id-5-yl)-3-pyridinyl]-1,3,5-triazine;iridium
• SMILES: Cc1nc(C)nc(-c2ccc(-c3[c-]cc4c(c3)C(C)(C)CC4(C)C)nc2)n1.[Ir]
• InChI: InChI=1S/C23H25N4.Ir/c1-14-25-15(2)27-21(26-14)17-8-10-20(24-12-17)16-7-9-18-19(11-16)23(5,6)13-22(18,3)4;/h8-12H,13H2,1-6H3;/q-1
• InChIKey: KVBMWJFHHKOELD-UHFFFAOYSA-N
• XLogP: 4.97
• TPSA: 51.56 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	549.70
LogP ≤ 5	4.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-6-[6-(1,1,3,3-tetramethyl-2,6-dihydroinden-6-id-5-yl)-3-pyridinyl]-1,3,5-triazine;iridium?

The IUPAC name of 2,4-dimethyl-6-[6-(1,1,3,3-tetramethyl-2,6-dihydroinden-6-id-5-yl)-3-pyridinyl]-1,3,5-triazine;iridium (CID 140826429) is 2,4-dimethyl-6-[6-(1,1,3,3-tetramethyl-2,6-dihydroinden-6-id-5-yl)-3-pyridinyl]-1,3,5-triazine;iridium.

What is the SMILES notation for 2,4-dimethyl-6-[6-(1,1,3,3-tetramethyl-2,6-dihydroinden-6-id-5-yl)-3-pyridinyl]-1,3,5-triazine;iridium?

The canonical SMILES for 2,4-dimethyl-6-[6-(1,1,3,3-tetramethyl-2,6-dihydroinden-6-id-5-yl)-3-pyridinyl]-1,3,5-triazine;iridium is Cc1nc(C)nc(-c2ccc(-c3[c-]cc4c(c3)C(C)(C)CC4(C)C)nc2)n1.[Ir].

What is the InChIKey of 2,4-dimethyl-6-[6-(1,1,3,3-tetramethyl-2,6-dihydroinden-6-id-5-yl)-3-pyridinyl]-1,3,5-triazine;iridium?

The InChIKey is KVBMWJFHHKOELD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N4.Ir/c1-14-25-15(2)27-21(26-14)17-8-10-20(24-12-17)16-7-9-18-19(11-16)23(5,6)13-22(18,3)4;/h8-12H,13H2,1-6H3;/q-1;.

What are the key properties of 2,4-dimethyl-6-[6-(1,1,3,3-tetramethyl-2,6-dihydroinden-6-id-5-yl)-3-pyridinyl]-1,3,5-triazine;iridium?

2,4-dimethyl-6-[6-(1,1,3,3-tetramethyl-2,6-dihydroinden-6-id-5-yl)-3-pyridinyl]-1,3,5-triazine;iridium has a molecular weight of 549.70 g/mol, XLogP of 4.97, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-dimethyl-6-[6-(1,1,3,3-tetramethyl-2,6-dihydroinden-6-id-5-yl)-3-pyridinyl]-1,3,5-triazine;iridium is sourced from PubChem (CID 140826429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).