iridium;2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;2-(2-phenyl-3-pyridinyl)-4,5-bis(trifluoromethyl)-1,3-oxazole

C59H42F6IrN4O2-2 — CID 172541918

About iridium;2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;2-(2-phenyl-3-pyridinyl)-4,5-bis(trifluoromethyl)-1,3-oxazole

iridium;2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;2-(2-phenyl-3-pyridinyl)-4,5-bis(trifluoromethyl)-1,3-oxazole (PubChem CID 172541918) has the molecular formula C59H42F6IrN4O2-2 and a molecular weight of 1145.22 g/mol. Its IUPAC name is iridium;2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;2-(2-phenyl-3-pyridinyl)-4,5-bis(trifluoromethyl)-1,3-oxazole.

Molecular Properties

• Compound Name: iridium;2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;2-(2-phenyl-3-pyridinyl)-4,5-bis(trifluoromethyl)-1,3-oxazole
• PubChem CID: 172541918
• Molecular Formula: C59H42F6IrN4O2-2
• Molecular Weight: 1145.22 g/mol
• Exact Mass: 1145.29
• IUPAC Name: iridium;2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;2-(2-phenyl-3-pyridinyl)-4,5-bis(trifluoromethyl)-1,3-oxazole
• SMILES: CC(C)c1cc(-c2ccccc2)cc(C(C)C)c1-n1c(-c2[c-]ccc3c2oc2cc(-c4ccccc4)ccc23)nc2ccccc21.FC(F)(F)c1nc(-c2cccnc2-c2[c-]cccc2)oc1C(F)(F)F.[Ir]
• InChI: InChI=1S/C43H35N2O.C16H7F6N2O.Ir/c1-27(2)36-24-32(30-16-9-6-10-17-30)25-37(28(3)4)41(36)45-39-21-12-11-20-38(39)44-43(45)35-19-13-18-34-33-23-22-31(26-40(33)46-42(34)35)29-14-7-5-8-15-29;17-15(18,19)12-13(16(20,21)22)25-14(24-12)10-7-4-8-23-11(10)9-5-2-1-3-6-9;/h5-18,20-28H,1-4H3;1-5,7-8H;/q2*-1
• InChIKey: UOYPUNDDQKYWHM-UHFFFAOYSA-N
• XLogP: 17.21
• TPSA: 69.88 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1145.22
LogP ≤ 5	17.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of iridium;2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;2-(2-phenyl-3-pyridinyl)-4,5-bis(trifluoromethyl)-1,3-oxazole?

The IUPAC name of iridium;2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;2-(2-phenyl-3-pyridinyl)-4,5-bis(trifluoromethyl)-1,3-oxazole (CID 172541918) is iridium;2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;2-(2-phenyl-3-pyridinyl)-4,5-bis(trifluoromethyl)-1,3-oxazole.

What is the SMILES notation for iridium;2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;2-(2-phenyl-3-pyridinyl)-4,5-bis(trifluoromethyl)-1,3-oxazole?

The canonical SMILES for iridium;2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;2-(2-phenyl-3-pyridinyl)-4,5-bis(trifluoromethyl)-1,3-oxazole is CC(C)c1cc(-c2ccccc2)cc(C(C)C)c1-n1c(-c2[c-]ccc3c2oc2cc(-c4ccccc4)ccc23)nc2ccccc21.FC(F)(F)c1nc(-c2cccnc2-c2[c-]cccc2)oc1C(F)(F)F.[Ir].

What is the InChIKey of iridium;2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;2-(2-phenyl-3-pyridinyl)-4,5-bis(trifluoromethyl)-1,3-oxazole?

The InChIKey is UOYPUNDDQKYWHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H35N2O.C16H7F6N2O.Ir/c1-27(2)36-24-32(30-16-9-6-10-17-30)25-37(28(3)4)41(36)45-39-21-12-11-20-38(39)44-43(45)35-19-13-18-34-33-23-22-31(26-40(33)46-42(34)35)29-14-7-5-8-15-29;17-15(18,19)12-13(16(20,21)22)25-14(24-12)10-7-4-8-23-11(10)9-5-2-1-3-6-9;/h5-18,20-28H,1-4H3;1-5,7-8H;/q2*-1;.

What are the key properties of iridium;2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;2-(2-phenyl-3-pyridinyl)-4,5-bis(trifluoromethyl)-1,3-oxazole?

iridium;2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;2-(2-phenyl-3-pyridinyl)-4,5-bis(trifluoromethyl)-1,3-oxazole has a molecular weight of 1145.22 g/mol, XLogP of 17.21, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for iridium;2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;2-(2-phenyl-3-pyridinyl)-4,5-bis(trifluoromethyl)-1,3-oxazole is sourced from PubChem (CID 172541918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).