iridium;(9R)-10-methyl-9-(6-phenyl-2-pyridinyl)-9-pyridin-2-yl-3,6-bis(trifluoromethyl)-1H-acridin-1-ide;pyridine-2-carboxylic acid

C38H24F6IrN4O2-2 — CID 170514520

About iridium;(9R)-10-methyl-9-(6-phenyl-2-pyridinyl)-9-pyridin-2-yl-3,6-bis(trifluoromethyl)-1H-acridin-1-ide;pyridine-2-carboxylic acid

iridium;(9R)-10-methyl-9-(6-phenyl-2-pyridinyl)-9-pyridin-2-yl-3,6-bis(trifluoromethyl)-1H-acridin-1-ide;pyridine-2-carboxylic acid (PubChem CID 170514520) has the molecular formula C38H24F6IrN4O2-2 and a molecular weight of 874.84 g/mol. Its IUPAC name is iridium;(9R)-10-methyl-9-(6-phenyl-2-pyridinyl)-9-pyridin-2-yl-3,6-bis(trifluoromethyl)-1H-acridin-1-ide;pyridine-2-carboxylic acid.

Molecular Properties

• Compound Name: iridium;(9R)-10-methyl-9-(6-phenyl-2-pyridinyl)-9-pyridin-2-yl-3,6-bis(trifluoromethyl)-1H-acridin-1-ide;pyridine-2-carboxylic acid
• PubChem CID: 170514520
• Molecular Formula: C38H24F6IrN4O2-2
• Molecular Weight: 874.84 g/mol
• Exact Mass: 875.14
• IUPAC Name: iridium;(9R)-10-methyl-9-(6-phenyl-2-pyridinyl)-9-pyridin-2-yl-3,6-bis(trifluoromethyl)-1H-acridin-1-ide;pyridine-2-carboxylic acid
• SMILES: CN1c2cc(C(F)(F)F)c[c-]c2[C@@](c2ccccn2)(c2cccc(-c3[c-]cccc3)n2)c2ccc(C(F)(F)F)cc21.O=C(O)c1ccccn1.[Ir]
• InChI: InChI=1S/C32H19F6N3.C6H5NO2.Ir/c1-41-26-18-21(31(33,34)35)13-15-23(26)30(28-11-5-6-17-39-28,24-16-14-22(19-27(24)41)32(36,37)38)29-12-7-10-25(40-29)20-8-3-2-4-9-20;8-6(9)5-3-1-2-4-7-5;/h2-8,10-15,17-19H,1H3;1-4H,(H,8,9);/q-2;;/t30-;;/m0../s1
• InChIKey: CSGAAQDHVDBBMU-ARIINYJRSA-N
• XLogP: 9.02
• TPSA: 79.21 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	874.84
LogP ≤ 5	9.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of iridium;(9R)-10-methyl-9-(6-phenyl-2-pyridinyl)-9-pyridin-2-yl-3,6-bis(trifluoromethyl)-1H-acridin-1-ide;pyridine-2-carboxylic acid?

The IUPAC name of iridium;(9R)-10-methyl-9-(6-phenyl-2-pyridinyl)-9-pyridin-2-yl-3,6-bis(trifluoromethyl)-1H-acridin-1-ide;pyridine-2-carboxylic acid (CID 170514520) is iridium;(9R)-10-methyl-9-(6-phenyl-2-pyridinyl)-9-pyridin-2-yl-3,6-bis(trifluoromethyl)-1H-acridin-1-ide;pyridine-2-carboxylic acid.

What is the SMILES notation for iridium;(9R)-10-methyl-9-(6-phenyl-2-pyridinyl)-9-pyridin-2-yl-3,6-bis(trifluoromethyl)-1H-acridin-1-ide;pyridine-2-carboxylic acid?

The canonical SMILES for iridium;(9R)-10-methyl-9-(6-phenyl-2-pyridinyl)-9-pyridin-2-yl-3,6-bis(trifluoromethyl)-1H-acridin-1-ide;pyridine-2-carboxylic acid is CN1c2cc(C(F)(F)F)c[c-]c2[C@@](c2ccccn2)(c2cccc(-c3[c-]cccc3)n2)c2ccc(C(F)(F)F)cc21.O=C(O)c1ccccn1.[Ir].

What is the InChIKey of iridium;(9R)-10-methyl-9-(6-phenyl-2-pyridinyl)-9-pyridin-2-yl-3,6-bis(trifluoromethyl)-1H-acridin-1-ide;pyridine-2-carboxylic acid?

The InChIKey is CSGAAQDHVDBBMU-ARIINYJRSA-N. The full InChI is InChI=1S/C32H19F6N3.C6H5NO2.Ir/c1-41-26-18-21(31(33,34)35)13-15-23(26)30(28-11-5-6-17-39-28,24-16-14-22(19-27(24)41)32(36,37)38)29-12-7-10-25(40-29)20-8-3-2-4-9-20;8-6(9)5-3-1-2-4-7-5;/h2-8,10-15,17-19H,1H3;1-4H,(H,8,9);/q-2;;/t30-;;/m0../s1.

What are the key properties of iridium;(9R)-10-methyl-9-(6-phenyl-2-pyridinyl)-9-pyridin-2-yl-3,6-bis(trifluoromethyl)-1H-acridin-1-ide;pyridine-2-carboxylic acid?

iridium;(9R)-10-methyl-9-(6-phenyl-2-pyridinyl)-9-pyridin-2-yl-3,6-bis(trifluoromethyl)-1H-acridin-1-ide;pyridine-2-carboxylic acid has a molecular weight of 874.84 g/mol, XLogP of 9.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for iridium;(9R)-10-methyl-9-(6-phenyl-2-pyridinyl)-9-pyridin-2-yl-3,6-bis(trifluoromethyl)-1H-acridin-1-ide;pyridine-2-carboxylic acid is sourced from PubChem (CID 170514520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).