4-N,4-N-diethyl-6-[6-(1,1,2,2,3,3-hexamethyl-6H-inden-6-id-5-yl)-3-pyridinyl]-2-N,2-N-dipyridin-2-yl-1,3,5-triazine-2,4-diamine;iridium

C37H41IrN8- — CID 140826721

About 4-N,4-N-diethyl-6-[6-(1,1,2,2,3,3-hexamethyl-6H-inden-6-id-5-yl)-3-pyridinyl]-2-N,2-N-dipyridin-2-yl-1,3,5-triazine-2,4-diamine;iridium

4-N,4-N-diethyl-6-[6-(1,1,2,2,3,3-hexamethyl-6H-inden-6-id-5-yl)-3-pyridinyl]-2-N,2-N-dipyridin-2-yl-1,3,5-triazine-2,4-diamine;iridium (PubChem CID 140826721) has the molecular formula C37H41IrN8- and a molecular weight of 790.01 g/mol. Its IUPAC name is 4-N,4-N-diethyl-6-[6-(1,1,2,2,3,3-hexamethyl-6H-inden-6-id-5-yl)-3-pyridinyl]-2-N,2-N-dipyridin-2-yl-1,3,5-triazine-2,4-diamine;iridium.

Molecular Properties

• Compound Name: 4-N,4-N-diethyl-6-[6-(1,1,2,2,3,3-hexamethyl-6H-inden-6-id-5-yl)-3-pyridinyl]-2-N,2-N-dipyridin-2-yl-1,3,5-triazine-2,4-diamine;iridium
• PubChem CID: 140826721
• Molecular Formula: C37H41IrN8-
• Molecular Weight: 790.01 g/mol
• Exact Mass: 790.31
• IUPAC Name: 4-N,4-N-diethyl-6-[6-(1,1,2,2,3,3-hexamethyl-6H-inden-6-id-5-yl)-3-pyridinyl]-2-N,2-N-dipyridin-2-yl-1,3,5-triazine-2,4-diamine;iridium
• SMILES: CCN(CC)c1nc(-c2ccc(-c3[c-]cc4c(c3)C(C)(C)C(C)(C)C4(C)C)nc2)nc(N(c2ccccn2)c2ccccn2)n1.[Ir]
• InChI: InChI=1S/C37H41N8.Ir/c1-9-44(10-2)33-41-32(42-34(43-33)45(30-15-11-13-21-38-30)31-16-12-14-22-39-31)26-18-20-29(40-24-26)25-17-19-27-28(23-25)36(5,6)37(7,8)35(27,3)4;/h11-16,18-24H,9-10H2,1-8H3;/q-1
• InChIKey: BDHMHOHBTCEXOF-UHFFFAOYSA-N
• XLogP: 8.10
• TPSA: 83.82 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	790.01
LogP ≤ 5	8.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-diethyl-6-[6-(1,1,2,2,3,3-hexamethyl-6H-inden-6-id-5-yl)-3-pyridinyl]-2-N,2-N-dipyridin-2-yl-1,3,5-triazine-2,4-diamine;iridium?

The IUPAC name of 4-N,4-N-diethyl-6-[6-(1,1,2,2,3,3-hexamethyl-6H-inden-6-id-5-yl)-3-pyridinyl]-2-N,2-N-dipyridin-2-yl-1,3,5-triazine-2,4-diamine;iridium (CID 140826721) is 4-N,4-N-diethyl-6-[6-(1,1,2,2,3,3-hexamethyl-6H-inden-6-id-5-yl)-3-pyridinyl]-2-N,2-N-dipyridin-2-yl-1,3,5-triazine-2,4-diamine;iridium.

What is the SMILES notation for 4-N,4-N-diethyl-6-[6-(1,1,2,2,3,3-hexamethyl-6H-inden-6-id-5-yl)-3-pyridinyl]-2-N,2-N-dipyridin-2-yl-1,3,5-triazine-2,4-diamine;iridium?

The canonical SMILES for 4-N,4-N-diethyl-6-[6-(1,1,2,2,3,3-hexamethyl-6H-inden-6-id-5-yl)-3-pyridinyl]-2-N,2-N-dipyridin-2-yl-1,3,5-triazine-2,4-diamine;iridium is CCN(CC)c1nc(-c2ccc(-c3[c-]cc4c(c3)C(C)(C)C(C)(C)C4(C)C)nc2)nc(N(c2ccccn2)c2ccccn2)n1.[Ir].

What is the InChIKey of 4-N,4-N-diethyl-6-[6-(1,1,2,2,3,3-hexamethyl-6H-inden-6-id-5-yl)-3-pyridinyl]-2-N,2-N-dipyridin-2-yl-1,3,5-triazine-2,4-diamine;iridium?

The InChIKey is BDHMHOHBTCEXOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H41N8.Ir/c1-9-44(10-2)33-41-32(42-34(43-33)45(30-15-11-13-21-38-30)31-16-12-14-22-39-31)26-18-20-29(40-24-26)25-17-19-27-28(23-25)36(5,6)37(7,8)35(27,3)4;/h11-16,18-24H,9-10H2,1-8H3;/q-1;.

What are the key properties of 4-N,4-N-diethyl-6-[6-(1,1,2,2,3,3-hexamethyl-6H-inden-6-id-5-yl)-3-pyridinyl]-2-N,2-N-dipyridin-2-yl-1,3,5-triazine-2,4-diamine;iridium?

4-N,4-N-diethyl-6-[6-(1,1,2,2,3,3-hexamethyl-6H-inden-6-id-5-yl)-3-pyridinyl]-2-N,2-N-dipyridin-2-yl-1,3,5-triazine-2,4-diamine;iridium has a molecular weight of 790.01 g/mol, XLogP of 8.10, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-N,4-N-diethyl-6-[6-(1,1,2,2,3,3-hexamethyl-6H-inden-6-id-5-yl)-3-pyridinyl]-2-N,2-N-dipyridin-2-yl-1,3,5-triazine-2,4-diamine;iridium is sourced from PubChem (CID 140826721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).