2-(9,9-diphenyl-2H-fluoren-2-id-1-yl)pyridine;iridium;4-pyridin-2-yl-10-[4-(trifluoromethyl)phenyl]-3H-phenoxazin-3-ide

C54H34F3IrN3O-2 — CID 153433160

About 2-(9,9-diphenyl-2H-fluoren-2-id-1-yl)pyridine;iridium;4-pyridin-2-yl-10-[4-(trifluoromethyl)phenyl]-3H-phenoxazin-3-ide

2-(9,9-diphenyl-2H-fluoren-2-id-1-yl)pyridine;iridium;4-pyridin-2-yl-10-[4-(trifluoromethyl)phenyl]-3H-phenoxazin-3-ide (PubChem CID 153433160) has the molecular formula C54H34F3IrN3O-2 and a molecular weight of 990.10 g/mol. Its IUPAC name is 2-(9,9-diphenyl-2H-fluoren-2-id-1-yl)pyridine;iridium;4-pyridin-2-yl-10-[4-(trifluoromethyl)phenyl]-3H-phenoxazin-3-ide.

Molecular Properties

• Compound Name: 2-(9,9-diphenyl-2H-fluoren-2-id-1-yl)pyridine;iridium;4-pyridin-2-yl-10-[4-(trifluoromethyl)phenyl]-3H-phenoxazin-3-ide
• PubChem CID: 153433160
• Molecular Formula: C54H34F3IrN3O-2
• Molecular Weight: 990.10 g/mol
• Exact Mass: 990.23
• IUPAC Name: 2-(9,9-diphenyl-2H-fluoren-2-id-1-yl)pyridine;iridium;4-pyridin-2-yl-10-[4-(trifluoromethyl)phenyl]-3H-phenoxazin-3-ide
• SMILES: FC(F)(F)c1ccc(N2c3ccccc3Oc3c(-c4ccccn4)[c-]ccc32)cc1.[Ir].[c-]1ccc2c(c1-c1ccccn1)C(c1ccccc1)(c1ccccc1)c1ccccc1-2
• InChI: InChI=1S/C30H20N.C24H14F3N2O.Ir/c1-3-12-22(13-4-1)30(23-14-5-2-6-15-23)27-19-8-7-16-24(27)25-17-11-18-26(29(25)30)28-20-9-10-21-31-28;25-24(26,27)16-11-13-17(14-12-16)29-20-8-1-2-10-22(20)30-23-18(6-5-9-21(23)29)19-7-3-4-15-28-19;/h1-17,19-21H;1-5,7-15H;/q2*-1
• InChIKey: JUXALSFKNKJPPA-UHFFFAOYSA-N
• XLogP: 14.05
• TPSA: 38.25 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	990.10
LogP ≤ 5	14.05
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-(9,9-diphenyl-2H-fluoren-2-id-1-yl)pyridine;iridium;4-pyridin-2-yl-10-[4-(trifluoromethyl)phenyl]-3H-phenoxazin-3-ide?

The IUPAC name of 2-(9,9-diphenyl-2H-fluoren-2-id-1-yl)pyridine;iridium;4-pyridin-2-yl-10-[4-(trifluoromethyl)phenyl]-3H-phenoxazin-3-ide (CID 153433160) is 2-(9,9-diphenyl-2H-fluoren-2-id-1-yl)pyridine;iridium;4-pyridin-2-yl-10-[4-(trifluoromethyl)phenyl]-3H-phenoxazin-3-ide.

What is the SMILES notation for 2-(9,9-diphenyl-2H-fluoren-2-id-1-yl)pyridine;iridium;4-pyridin-2-yl-10-[4-(trifluoromethyl)phenyl]-3H-phenoxazin-3-ide?

The canonical SMILES for 2-(9,9-diphenyl-2H-fluoren-2-id-1-yl)pyridine;iridium;4-pyridin-2-yl-10-[4-(trifluoromethyl)phenyl]-3H-phenoxazin-3-ide is FC(F)(F)c1ccc(N2c3ccccc3Oc3c(-c4ccccn4)[c-]ccc32)cc1.[Ir].[c-]1ccc2c(c1-c1ccccn1)C(c1ccccc1)(c1ccccc1)c1ccccc1-2.

What is the InChIKey of 2-(9,9-diphenyl-2H-fluoren-2-id-1-yl)pyridine;iridium;4-pyridin-2-yl-10-[4-(trifluoromethyl)phenyl]-3H-phenoxazin-3-ide?

The InChIKey is JUXALSFKNKJPPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20N.C24H14F3N2O.Ir/c1-3-12-22(13-4-1)30(23-14-5-2-6-15-23)27-19-8-7-16-24(27)25-17-11-18-26(29(25)30)28-20-9-10-21-31-28;25-24(26,27)16-11-13-17(14-12-16)29-20-8-1-2-10-22(20)30-23-18(6-5-9-21(23)29)19-7-3-4-15-28-19;/h1-17,19-21H;1-5,7-15H;/q2*-1;.

What are the key properties of 2-(9,9-diphenyl-2H-fluoren-2-id-1-yl)pyridine;iridium;4-pyridin-2-yl-10-[4-(trifluoromethyl)phenyl]-3H-phenoxazin-3-ide?

2-(9,9-diphenyl-2H-fluoren-2-id-1-yl)pyridine;iridium;4-pyridin-2-yl-10-[4-(trifluoromethyl)phenyl]-3H-phenoxazin-3-ide has a molecular weight of 990.10 g/mol, XLogP of 14.05, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(9,9-diphenyl-2H-fluoren-2-id-1-yl)pyridine;iridium;4-pyridin-2-yl-10-[4-(trifluoromethyl)phenyl]-3H-phenoxazin-3-ide is sourced from PubChem (CID 153433160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).