1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;iridium(3+);4-[2-[4-[2-[3-(2-methyl-5-propyl-1,2,4-triazol-3-yl)benzene-4-id-1-yl]ethyl]phenyl]ethyl]-2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine;4-[2-[4-[2-[3-(2-methyl-5-propyl-1,2,4-triazol-3-yl)phenyl]ethyl]phenyl]ethyl]-2-[4-(trifluoromethyl)phenyl]pyridine;trichloroiridium

C110H111Cl3F6Ir2N12 — CID 159876951

About 1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;iridium(3+);4-[2-[4-[2-[3-(2-methyl-5-propyl-1,2,4-triazol-3-yl)benzene-4-id-1-yl]ethyl]phenyl]ethyl]-2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine;4-[2-[4-[2-[3-(2-methyl-5-propyl-1,2,4-triazol-3-yl)phenyl]ethyl]phenyl]ethyl]-2-[4-(trifluoromethyl)phenyl]pyridine;trichloroiridium

1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;iridium(3+);4-[2-[4-[2-[3-(2-methyl-5-propyl-1,2,4-triazol-3-yl)benzene-4-id-1-yl]ethyl]phenyl]ethyl]-2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine;4-[2-[4-[2-[3-(2-methyl-5-propyl-1,2,4-triazol-3-yl)phenyl]ethyl]phenyl]ethyl]-2-[4-(trifluoromethyl)phenyl]pyridine;trichloroiridium (PubChem CID 159876951) has the molecular formula C110H111Cl3F6Ir2N12 and a molecular weight of 2205.96 g/mol. Its IUPAC name is 1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;iridium(3+);4-[2-[4-[2-[3-(2-methyl-5-propyl-1,2,4-triazol-3-yl)benzene-4-id-1-yl]ethyl]phenyl]ethyl]-2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine;4-[2-[4-[2-[3-(2-methyl-5-propyl-1,2,4-triazol-3-yl)phenyl]ethyl]phenyl]ethyl]-2-[4-(trifluoromethyl)phenyl]pyridine;trichloroiridium.

Molecular Properties

• Compound Name: 1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;iridium(3+);4-[2-[4-[2-[3-(2-methyl-5-propyl-1,2,4-triazol-3-yl)benzene-4-id-1-yl]ethyl]phenyl]ethyl]-2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine;4-[2-[4-[2-[3-(2-methyl-5-propyl-1,2,4-triazol-3-yl)phenyl]ethyl]phenyl]ethyl]-2-[4-(trifluoromethyl)phenyl]pyridine;trichloroiridium
• PubChem CID: 159876951
• Molecular Formula: C110H111Cl3F6Ir2N12
• Molecular Weight: 2205.96 g/mol
• Exact Mass: 2204.73
• IUPAC Name: 1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;iridium(3+);4-[2-[4-[2-[3-(2-methyl-5-propyl-1,2,4-triazol-3-yl)benzene-4-id-1-yl]ethyl]phenyl]ethyl]-2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine;4-[2-[4-[2-[3-(2-methyl-5-propyl-1,2,4-triazol-3-yl)phenyl]ethyl]phenyl]ethyl]-2-[4-(trifluoromethyl)phenyl]pyridine;trichloroiridium
• SMILES: CC(C)c1cccc(C(C)C)c1-n1ccnc1-c1[c-]cccc1.CC(C)c1cccc(C(C)C)c1-n1ccnc1-c1ccccc1.CCCc1nc(-c2[c-]ccc(CCc3ccc(CCc4ccnc(-c5[c-]cc(C(F)(F)F)cc5)c4)cc3)c2)n(C)n1.CCCc1nc(-c2cccc(CCc3ccc(CCc4ccnc(-c5ccc(C(F)(F)F)cc5)c4)cc3)c2)n(C)n1.Cl[Ir](Cl)Cl.[Ir+3]
• InChI: InChI=1S/C34H33F3N4.C34H31F3N4.C21H24N2.C21H23N2.3ClH.2Ir/c2*1-3-5-32-39-33(41(2)40-32)29-7-4-6-26(22-29)14-12-24-8-10-25(11-9-24)13-15-27-20-21-38-31(23-27)28-16-18-30(19-17-28)34(35,36)37;2*1-15(2)18-11-8-12-19(16(3)4)20(18)23-14-13-22-21(23)17-9-6-5-7-10-17;;;;;/h4,6-11,16-23H,3,5,12-15H2,1-2H3;4,6,8-11,16,18-23H,3,5,12-15H2,1-2H3;5-16H,1-4H3;5-9,11-16H,1-4H3;3*1H;;/q;-2;;-1;;;;2*+3/p-3
• InChIKey: BNXGVNIPROLBNT-UHFFFAOYSA-K
• XLogP: 29.21
• TPSA: 122.84 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 28
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2205.96
LogP ≤ 5	29.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;iridium(3+);4-[2-[4-[2-[3-(2-methyl-5-propyl-1,2,4-triazol-3-yl)benzene-4-id-1-yl]ethyl]phenyl]ethyl]-2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine;4-[2-[4-[2-[3-(2-methyl-5-propyl-1,2,4-triazol-3-yl)phenyl]ethyl]phenyl]ethyl]-2-[4-(trifluoromethyl)phenyl]pyridine;trichloroiridium?

The IUPAC name of 1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;iridium(3+);4-[2-[4-[2-[3-(2-methyl-5-propyl-1,2,4-triazol-3-yl)benzene-4-id-1-yl]ethyl]phenyl]ethyl]-2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine;4-[2-[4-[2-[3-(2-methyl-5-propyl-1,2,4-triazol-3-yl)phenyl]ethyl]phenyl]ethyl]-2-[4-(trifluoromethyl)phenyl]pyridine;trichloroiridium (CID 159876951) is 1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;iridium(3+);4-[2-[4-[2-[3-(2-methyl-5-propyl-1,2,4-triazol-3-yl)benzene-4-id-1-yl]ethyl]phenyl]ethyl]-2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine;4-[2-[4-[2-[3-(2-methyl-5-propyl-1,2,4-triazol-3-yl)phenyl]ethyl]phenyl]ethyl]-2-[4-(trifluoromethyl)phenyl]pyridine;trichloroiridium.

What is the SMILES notation for 1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;iridium(3+);4-[2-[4-[2-[3-(2-methyl-5-propyl-1,2,4-triazol-3-yl)benzene-4-id-1-yl]ethyl]phenyl]ethyl]-2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine;4-[2-[4-[2-[3-(2-methyl-5-propyl-1,2,4-triazol-3-yl)phenyl]ethyl]phenyl]ethyl]-2-[4-(trifluoromethyl)phenyl]pyridine;trichloroiridium?

The canonical SMILES for 1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;iridium(3+);4-[2-[4-[2-[3-(2-methyl-5-propyl-1,2,4-triazol-3-yl)benzene-4-id-1-yl]ethyl]phenyl]ethyl]-2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine;4-[2-[4-[2-[3-(2-methyl-5-propyl-1,2,4-triazol-3-yl)phenyl]ethyl]phenyl]ethyl]-2-[4-(trifluoromethyl)phenyl]pyridine;trichloroiridium is CC(C)c1cccc(C(C)C)c1-n1ccnc1-c1[c-]cccc1.CC(C)c1cccc(C(C)C)c1-n1ccnc1-c1ccccc1.CCCc1nc(-c2[c-]ccc(CCc3ccc(CCc4ccnc(-c5[c-]cc(C(F)(F)F)cc5)c4)cc3)c2)n(C)n1.CCCc1nc(-c2cccc(CCc3ccc(CCc4ccnc(-c5ccc(C(F)(F)F)cc5)c4)cc3)c2)n(C)n1.Cl[Ir](Cl)Cl.[Ir+3].

What is the InChIKey of 1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;iridium(3+);4-[2-[4-[2-[3-(2-methyl-5-propyl-1,2,4-triazol-3-yl)benzene-4-id-1-yl]ethyl]phenyl]ethyl]-2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine;4-[2-[4-[2-[3-(2-methyl-5-propyl-1,2,4-triazol-3-yl)phenyl]ethyl]phenyl]ethyl]-2-[4-(trifluoromethyl)phenyl]pyridine;trichloroiridium?

The InChIKey is BNXGVNIPROLBNT-UHFFFAOYSA-K. The full InChI is InChI=1S/C34H33F3N4.C34H31F3N4.C21H24N2.C21H23N2.3ClH.2Ir/c2*1-3-5-32-39-33(41(2)40-32)29-7-4-6-26(22-29)14-12-24-8-10-25(11-9-24)13-15-27-20-21-38-31(23-27)28-16-18-30(19-17-28)34(35,36)37;2*1-15(2)18-11-8-12-19(16(3)4)20(18)23-14-13-22-21(23)17-9-6-5-7-10-17;;;;;/h4,6-11,16-23H,3,5,12-15H2,1-2H3;4,6,8-11,16,18-23H,3,5,12-15H2,1-2H3;5-16H,1-4H3;5-9,11-16H,1-4H3;3*1H;;/q;-2;;-1;;;;2*+3/p-3.

What are the key properties of 1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;iridium(3+);4-[2-[4-[2-[3-(2-methyl-5-propyl-1,2,4-triazol-3-yl)benzene-4-id-1-yl]ethyl]phenyl]ethyl]-2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine;4-[2-[4-[2-[3-(2-methyl-5-propyl-1,2,4-triazol-3-yl)phenyl]ethyl]phenyl]ethyl]-2-[4-(trifluoromethyl)phenyl]pyridine;trichloroiridium?

1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;iridium(3+);4-[2-[4-[2-[3-(2-methyl-5-propyl-1,2,4-triazol-3-yl)benzene-4-id-1-yl]ethyl]phenyl]ethyl]-2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine;4-[2-[4-[2-[3-(2-methyl-5-propyl-1,2,4-triazol-3-yl)phenyl]ethyl]phenyl]ethyl]-2-[4-(trifluoromethyl)phenyl]pyridine;trichloroiridium has a molecular weight of 2205.96 g/mol, XLogP of 29.21, 28 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;iridium(3+);4-[2-[4-[2-[3-(2-methyl-5-propyl-1,2,4-triazol-3-yl)benzene-4-id-1-yl]ethyl]phenyl]ethyl]-2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine;4-[2-[4-[2-[3-(2-methyl-5-propyl-1,2,4-triazol-3-yl)phenyl]ethyl]phenyl]ethyl]-2-[4-(trifluoromethyl)phenyl]pyridine;trichloroiridium is sourced from PubChem (CID 159876951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).