2-(4-tert-butylphenyl)-5-(3-pyridin-2-ylbenzene-4-id-1-yl)-1,3,4-oxadiazole;2-[3-(2,5-dimethylphenyl)benzene-6-id-1-yl]pyridine;tetrakis(iridium);9-(3-pyridin-2-ylbenzene-4-id-1-yl)carbazole;2-(3-pyridin-2-ylbenzene-4-id-1-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole

C85H62F3Ir4N9O2-4 — CID 160945898

About 2-(4-tert-butylphenyl)-5-(3-pyridin-2-ylbenzene-4-id-1-yl)-1,3,4-oxadiazole;2-[3-(2,5-dimethylphenyl)benzene-6-id-1-yl]pyridine;tetrakis(iridium);9-(3-pyridin-2-ylbenzene-4-id-1-yl)carbazole;2-(3-pyridin-2-ylbenzene-4-id-1-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole

2-(4-tert-butylphenyl)-5-(3-pyridin-2-ylbenzene-4-id-1-yl)-1,3,4-oxadiazole;2-[3-(2,5-dimethylphenyl)benzene-6-id-1-yl]pyridine;tetrakis(iridium);9-(3-pyridin-2-ylbenzene-4-id-1-yl)carbazole;2-(3-pyridin-2-ylbenzene-4-id-1-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole (PubChem CID 160945898) has the molecular formula C85H62F3Ir4N9O2-4 and a molecular weight of 2067.35 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-5-(3-pyridin-2-ylbenzene-4-id-1-yl)-1,3,4-oxadiazole;2-[3-(2,5-dimethylphenyl)benzene-6-id-1-yl]pyridine;tetrakis(iridium);9-(3-pyridin-2-ylbenzene-4-id-1-yl)carbazole;2-(3-pyridin-2-ylbenzene-4-id-1-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole.

Molecular Properties

• Compound Name: 2-(4-tert-butylphenyl)-5-(3-pyridin-2-ylbenzene-4-id-1-yl)-1,3,4-oxadiazole;2-[3-(2,5-dimethylphenyl)benzene-6-id-1-yl]pyridine;tetrakis(iridium);9-(3-pyridin-2-ylbenzene-4-id-1-yl)carbazole;2-(3-pyridin-2-ylbenzene-4-id-1-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
• PubChem CID: 160945898
• Molecular Formula: C85H62F3Ir4N9O2-4
• Molecular Weight: 2067.35 g/mol
• Exact Mass: 2069.35
• IUPAC Name: 2-(4-tert-butylphenyl)-5-(3-pyridin-2-ylbenzene-4-id-1-yl)-1,3,4-oxadiazole;2-[3-(2,5-dimethylphenyl)benzene-6-id-1-yl]pyridine;tetrakis(iridium);9-(3-pyridin-2-ylbenzene-4-id-1-yl)carbazole;2-(3-pyridin-2-ylbenzene-4-id-1-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
• SMILES: CC(C)(C)c1ccc(-c2nnc(-c3cc[c-]c(-c4ccccn4)c3)o2)cc1.Cc1ccc(C)c(-c2cc[c-]c(-c3ccccn3)c2)c1.FC(F)(F)c1ccc(-c2nnc(-c3cc[c-]c(-c4ccccn4)c3)o2)cc1.[Ir].[Ir].[Ir].[Ir].[c-]1ccc(-n2c3ccccc3c3ccccc32)cc1-c1ccccn1
• InChI: InChI=1S/C23H20N3O.C23H15N2.C20H11F3N3O.C19H16N.4Ir/c1-23(2,3)19-12-10-16(11-13-19)21-25-26-22(27-21)18-8-6-7-17(15-18)20-9-4-5-14-24-20;1-3-13-22-19(10-1)20-11-2-4-14-23(20)25(22)18-9-7-8-17(16-18)21-12-5-6-15-24-21;21-20(22,23)16-9-7-13(8-10-16)18-25-26-19(27-18)15-5-3-4-14(12-15)17-6-1-2-11-24-17;1-14-9-10-15(2)18(12-14)16-6-5-7-17(13-16)19-8-3-4-11-20-19;;;;/h4-6,8-15H,1-3H3;1-7,9-16H;1-3,5-12H;3-6,8-13H,1-2H3;;;;/q4*-1
• InChIKey: FPCUAODFQRENFW-UHFFFAOYSA-N
• XLogP: 21.32
• TPSA: 134.33 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 10
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2067.35
LogP ≤ 5	21.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-5-(3-pyridin-2-ylbenzene-4-id-1-yl)-1,3,4-oxadiazole;2-[3-(2,5-dimethylphenyl)benzene-6-id-1-yl]pyridine;tetrakis(iridium);9-(3-pyridin-2-ylbenzene-4-id-1-yl)carbazole;2-(3-pyridin-2-ylbenzene-4-id-1-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole?

The IUPAC name of 2-(4-tert-butylphenyl)-5-(3-pyridin-2-ylbenzene-4-id-1-yl)-1,3,4-oxadiazole;2-[3-(2,5-dimethylphenyl)benzene-6-id-1-yl]pyridine;tetrakis(iridium);9-(3-pyridin-2-ylbenzene-4-id-1-yl)carbazole;2-(3-pyridin-2-ylbenzene-4-id-1-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole (CID 160945898) is 2-(4-tert-butylphenyl)-5-(3-pyridin-2-ylbenzene-4-id-1-yl)-1,3,4-oxadiazole;2-[3-(2,5-dimethylphenyl)benzene-6-id-1-yl]pyridine;tetrakis(iridium);9-(3-pyridin-2-ylbenzene-4-id-1-yl)carbazole;2-(3-pyridin-2-ylbenzene-4-id-1-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole.

What is the SMILES notation for 2-(4-tert-butylphenyl)-5-(3-pyridin-2-ylbenzene-4-id-1-yl)-1,3,4-oxadiazole;2-[3-(2,5-dimethylphenyl)benzene-6-id-1-yl]pyridine;tetrakis(iridium);9-(3-pyridin-2-ylbenzene-4-id-1-yl)carbazole;2-(3-pyridin-2-ylbenzene-4-id-1-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole?

The canonical SMILES for 2-(4-tert-butylphenyl)-5-(3-pyridin-2-ylbenzene-4-id-1-yl)-1,3,4-oxadiazole;2-[3-(2,5-dimethylphenyl)benzene-6-id-1-yl]pyridine;tetrakis(iridium);9-(3-pyridin-2-ylbenzene-4-id-1-yl)carbazole;2-(3-pyridin-2-ylbenzene-4-id-1-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole is CC(C)(C)c1ccc(-c2nnc(-c3cc[c-]c(-c4ccccn4)c3)o2)cc1.Cc1ccc(C)c(-c2cc[c-]c(-c3ccccn3)c2)c1.FC(F)(F)c1ccc(-c2nnc(-c3cc[c-]c(-c4ccccn4)c3)o2)cc1.[Ir].[Ir].[Ir].[Ir].[c-]1ccc(-n2c3ccccc3c3ccccc32)cc1-c1ccccn1.

What is the InChIKey of 2-(4-tert-butylphenyl)-5-(3-pyridin-2-ylbenzene-4-id-1-yl)-1,3,4-oxadiazole;2-[3-(2,5-dimethylphenyl)benzene-6-id-1-yl]pyridine;tetrakis(iridium);9-(3-pyridin-2-ylbenzene-4-id-1-yl)carbazole;2-(3-pyridin-2-ylbenzene-4-id-1-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole?

The InChIKey is FPCUAODFQRENFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N3O.C23H15N2.C20H11F3N3O.C19H16N.4Ir/c1-23(2,3)19-12-10-16(11-13-19)21-25-26-22(27-21)18-8-6-7-17(15-18)20-9-4-5-14-24-20;1-3-13-22-19(10-1)20-11-2-4-14-23(20)25(22)18-9-7-8-17(16-18)21-12-5-6-15-24-21;21-20(22,23)16-9-7-13(8-10-16)18-25-26-19(27-18)15-5-3-4-14(12-15)17-6-1-2-11-24-17;1-14-9-10-15(2)18(12-14)16-6-5-7-17(13-16)19-8-3-4-11-20-19;;;;/h4-6,8-15H,1-3H3;1-7,9-16H;1-3,5-12H;3-6,8-13H,1-2H3;;;;/q4*-1;;;;.

What are the key properties of 2-(4-tert-butylphenyl)-5-(3-pyridin-2-ylbenzene-4-id-1-yl)-1,3,4-oxadiazole;2-[3-(2,5-dimethylphenyl)benzene-6-id-1-yl]pyridine;tetrakis(iridium);9-(3-pyridin-2-ylbenzene-4-id-1-yl)carbazole;2-(3-pyridin-2-ylbenzene-4-id-1-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole?

2-(4-tert-butylphenyl)-5-(3-pyridin-2-ylbenzene-4-id-1-yl)-1,3,4-oxadiazole;2-[3-(2,5-dimethylphenyl)benzene-6-id-1-yl]pyridine;tetrakis(iridium);9-(3-pyridin-2-ylbenzene-4-id-1-yl)carbazole;2-(3-pyridin-2-ylbenzene-4-id-1-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole has a molecular weight of 2067.35 g/mol, XLogP of 21.32, 10 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-tert-butylphenyl)-5-(3-pyridin-2-ylbenzene-4-id-1-yl)-1,3,4-oxadiazole;2-[3-(2,5-dimethylphenyl)benzene-6-id-1-yl]pyridine;tetrakis(iridium);9-(3-pyridin-2-ylbenzene-4-id-1-yl)carbazole;2-(3-pyridin-2-ylbenzene-4-id-1-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 160945898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).