9-[3-carbazol-9-yl-5-[8-[4-[3,5-dimethyl-4-(2-phenylimidazol-1-yl)phenyl]hexan-2-yl]dibenzofuran-2-yl]phenyl]carbazole;iridium(3+);bis(2-phenyl-1-(2,4,6-trimethylphenyl)imidazole)

C101H85IrN8O — CID 59196727

About 9-[3-carbazol-9-yl-5-[8-[4-[3,5-dimethyl-4-(2-phenylimidazol-1-yl)phenyl]hexan-2-yl]dibenzofuran-2-yl]phenyl]carbazole;iridium(3+);bis(2-phenyl-1-(2,4,6-trimethylphenyl)imidazole)

9-[3-carbazol-9-yl-5-[8-[4-[3,5-dimethyl-4-(2-phenylimidazol-1-yl)phenyl]hexan-2-yl]dibenzofuran-2-yl]phenyl]carbazole;iridium(3+);bis(2-phenyl-1-(2,4,6-trimethylphenyl)imidazole) (PubChem CID 59196727) has the molecular formula C101H85IrN8O and a molecular weight of 1619.06 g/mol. Its IUPAC name is 9-[3-carbazol-9-yl-5-[8-[4-[3,5-dimethyl-4-(2-phenylimidazol-1-yl)phenyl]hexan-2-yl]dibenzofuran-2-yl]phenyl]carbazole;iridium(3+);bis(2-phenyl-1-(2,4,6-trimethylphenyl)imidazole).

Molecular Properties

• Compound Name: 9-[3-carbazol-9-yl-5-[8-[4-[3,5-dimethyl-4-(2-phenylimidazol-1-yl)phenyl]hexan-2-yl]dibenzofuran-2-yl]phenyl]carbazole;iridium(3+);bis(2-phenyl-1-(2,4,6-trimethylphenyl)imidazole)
• PubChem CID: 59196727
• Molecular Formula: C101H85IrN8O
• Molecular Weight: 1619.06 g/mol
• Exact Mass: 1618.65
• IUPAC Name: 9-[3-carbazol-9-yl-5-[8-[4-[3,5-dimethyl-4-(2-phenylimidazol-1-yl)phenyl]hexan-2-yl]dibenzofuran-2-yl]phenyl]carbazole;iridium(3+);bis(2-phenyl-1-(2,4,6-trimethylphenyl)imidazole)
• SMILES: CCC(CC(C)c1ccc2oc3ccc(-c4cc(-n5c6ccccc6c6ccccc65)cc(-n5c6ccccc6c6ccccc65)c4)cc3c2c1)c1cc(C)c(-n2ccnc2-c2[c-]cccc2)c(C)c1.Cc1cc(C)c(-n2ccnc2-c2[c-]cccc2)c(C)c1.Cc1cc(C)c(-n2ccnc2-c2[c-]cccc2)c(C)c1.[Ir+3]
• InChI: InChI=1S/C65H51N4O.2C18H17N2.Ir/c1-5-44(48-34-42(3)64(43(4)35-48)67-32-31-66-65(67)45-17-7-6-8-18-45)33-41(2)46-27-29-62-56(38-46)57-39-47(28-30-63(57)70-62)49-36-50(68-58-23-13-9-19-52(58)53-20-10-14-24-59(53)68)40-51(37-49)69-60-25-15-11-21-54(60)55-22-12-16-26-61(55)69;2*1-13-11-14(2)17(15(3)12-13)20-10-9-19-18(20)16-7-5-4-6-8-16;/h6-17,19-32,34-41,44H,5,33H2,1-4H3;2*4-7,9-12H,1-3H3;/q3*-1;+3
• InChIKey: YTQZHAOAWRFVNF-UHFFFAOYSA-N
• XLogP: 25.93
• TPSA: 76.46 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 14
• Heavy Atoms: 111
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1619.06
LogP ≤ 5	25.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9-[3-carbazol-9-yl-5-[8-[4-[3,5-dimethyl-4-(2-phenylimidazol-1-yl)phenyl]hexan-2-yl]dibenzofuran-2-yl]phenyl]carbazole;iridium(3+);bis(2-phenyl-1-(2,4,6-trimethylphenyl)imidazole)?

The IUPAC name of 9-[3-carbazol-9-yl-5-[8-[4-[3,5-dimethyl-4-(2-phenylimidazol-1-yl)phenyl]hexan-2-yl]dibenzofuran-2-yl]phenyl]carbazole;iridium(3+);bis(2-phenyl-1-(2,4,6-trimethylphenyl)imidazole) (CID 59196727) is 9-[3-carbazol-9-yl-5-[8-[4-[3,5-dimethyl-4-(2-phenylimidazol-1-yl)phenyl]hexan-2-yl]dibenzofuran-2-yl]phenyl]carbazole;iridium(3+);bis(2-phenyl-1-(2,4,6-trimethylphenyl)imidazole).

What is the SMILES notation for 9-[3-carbazol-9-yl-5-[8-[4-[3,5-dimethyl-4-(2-phenylimidazol-1-yl)phenyl]hexan-2-yl]dibenzofuran-2-yl]phenyl]carbazole;iridium(3+);bis(2-phenyl-1-(2,4,6-trimethylphenyl)imidazole)?

The canonical SMILES for 9-[3-carbazol-9-yl-5-[8-[4-[3,5-dimethyl-4-(2-phenylimidazol-1-yl)phenyl]hexan-2-yl]dibenzofuran-2-yl]phenyl]carbazole;iridium(3+);bis(2-phenyl-1-(2,4,6-trimethylphenyl)imidazole) is CCC(CC(C)c1ccc2oc3ccc(-c4cc(-n5c6ccccc6c6ccccc65)cc(-n5c6ccccc6c6ccccc65)c4)cc3c2c1)c1cc(C)c(-n2ccnc2-c2[c-]cccc2)c(C)c1.Cc1cc(C)c(-n2ccnc2-c2[c-]cccc2)c(C)c1.Cc1cc(C)c(-n2ccnc2-c2[c-]cccc2)c(C)c1.[Ir+3].

What is the InChIKey of 9-[3-carbazol-9-yl-5-[8-[4-[3,5-dimethyl-4-(2-phenylimidazol-1-yl)phenyl]hexan-2-yl]dibenzofuran-2-yl]phenyl]carbazole;iridium(3+);bis(2-phenyl-1-(2,4,6-trimethylphenyl)imidazole)?

The InChIKey is YTQZHAOAWRFVNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H51N4O.2C18H17N2.Ir/c1-5-44(48-34-42(3)64(43(4)35-48)67-32-31-66-65(67)45-17-7-6-8-18-45)33-41(2)46-27-29-62-56(38-46)57-39-47(28-30-63(57)70-62)49-36-50(68-58-23-13-9-19-52(58)53-20-10-14-24-59(53)68)40-51(37-49)69-60-25-15-11-21-54(60)55-22-12-16-26-61(55)69;2*1-13-11-14(2)17(15(3)12-13)20-10-9-19-18(20)16-7-5-4-6-8-16;/h6-17,19-32,34-41,44H,5,33H2,1-4H3;2*4-7,9-12H,1-3H3;/q3*-1;+3.

What are the key properties of 9-[3-carbazol-9-yl-5-[8-[4-[3,5-dimethyl-4-(2-phenylimidazol-1-yl)phenyl]hexan-2-yl]dibenzofuran-2-yl]phenyl]carbazole;iridium(3+);bis(2-phenyl-1-(2,4,6-trimethylphenyl)imidazole)?

9-[3-carbazol-9-yl-5-[8-[4-[3,5-dimethyl-4-(2-phenylimidazol-1-yl)phenyl]hexan-2-yl]dibenzofuran-2-yl]phenyl]carbazole;iridium(3+);bis(2-phenyl-1-(2,4,6-trimethylphenyl)imidazole) has a molecular weight of 1619.06 g/mol, XLogP of 25.93, 14 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[3-carbazol-9-yl-5-[8-[4-[3,5-dimethyl-4-(2-phenylimidazol-1-yl)phenyl]hexan-2-yl]dibenzofuran-2-yl]phenyl]carbazole;iridium(3+);bis(2-phenyl-1-(2,4,6-trimethylphenyl)imidazole) is sourced from PubChem (CID 59196727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).