3-dibenzofuran-2-yl-9-[3-[9-[4-[2,4-dimethyl-4-[4-[1-(2,3,4,5,6-pentamethylphenyl)imidazol-2-yl]benzene-5-id-1-yl]hexan-2-yl]phenyl]carbazol-3-yl]phenyl]carbazole;iridium(3+);bis(1-(2,3,4,5,6-pentamethylphenyl)-2-phenylimidazole)

C116H107IrN8O — CID 59196768

About 3-dibenzofuran-2-yl-9-[3-[9-[4-[2,4-dimethyl-4-[4-[1-(2,3,4,5,6-pentamethylphenyl)imidazol-2-yl]benzene-5-id-1-yl]hexan-2-yl]phenyl]carbazol-3-yl]phenyl]carbazole;iridium(3+);bis(1-(2,3,4,5,6-pentamethylphenyl)-2-phenylimidazole)

3-dibenzofuran-2-yl-9-[3-[9-[4-[2,4-dimethyl-4-[4-[1-(2,3,4,5,6-pentamethylphenyl)imidazol-2-yl]benzene-5-id-1-yl]hexan-2-yl]phenyl]carbazol-3-yl]phenyl]carbazole;iridium(3+);bis(1-(2,3,4,5,6-pentamethylphenyl)-2-phenylimidazole) (PubChem CID 59196768) has the molecular formula C116H107IrN8O and a molecular weight of 1821.40 g/mol. Its IUPAC name is 3-dibenzofuran-2-yl-9-[3-[9-[4-[2,4-dimethyl-4-[4-[1-(2,3,4,5,6-pentamethylphenyl)imidazol-2-yl]benzene-5-id-1-yl]hexan-2-yl]phenyl]carbazol-3-yl]phenyl]carbazole;iridium(3+);bis(1-(2,3,4,5,6-pentamethylphenyl)-2-phenylimidazole).

Molecular Properties

• Compound Name: 3-dibenzofuran-2-yl-9-[3-[9-[4-[2,4-dimethyl-4-[4-[1-(2,3,4,5,6-pentamethylphenyl)imidazol-2-yl]benzene-5-id-1-yl]hexan-2-yl]phenyl]carbazol-3-yl]phenyl]carbazole;iridium(3+);bis(1-(2,3,4,5,6-pentamethylphenyl)-2-phenylimidazole)
• PubChem CID: 59196768
• Molecular Formula: C116H107IrN8O
• Molecular Weight: 1821.40 g/mol
• Exact Mass: 1820.82
• IUPAC Name: 3-dibenzofuran-2-yl-9-[3-[9-[4-[2,4-dimethyl-4-[4-[1-(2,3,4,5,6-pentamethylphenyl)imidazol-2-yl]benzene-5-id-1-yl]hexan-2-yl]phenyl]carbazol-3-yl]phenyl]carbazole;iridium(3+);bis(1-(2,3,4,5,6-pentamethylphenyl)-2-phenylimidazole)
• SMILES: CCC(C)(CC(C)(C)c1ccc(-n2c3ccccc3c3cc(-c4cccc(-n5c6ccccc6c6cc(-c7ccc8oc9ccccc9c8c7)ccc65)c4)ccc32)cc1)c1c[c-]c(-c2nccn2-c2c(C)c(C)c(C)c(C)c2C)cc1.Cc1c(C)c(C)c(-n2ccnc2-c2[c-]cccc2)c(C)c1C.Cc1c(C)c(C)c(-n2ccnc2-c2[c-]cccc2)c(C)c1C.[Ir+3]
• InChI: InChI=1S/C76H65N4O.2C20H21N2.Ir/c1-10-76(9,58-31-26-52(27-32-58)74-77-40-41-78(74)73-50(5)48(3)47(2)49(4)51(73)6)46-75(7,8)57-33-35-59(36-34-57)79-67-23-14-11-20-61(67)64-43-54(28-37-69(64)79)53-18-17-19-60(42-53)80-68-24-15-12-21-62(68)65-44-55(29-38-70(65)80)56-30-39-72-66(45-56)63-22-13-16-25-71(63)81-72;2*1-13-14(2)16(4)19(17(5)15(13)3)22-12-11-21-20(22)18-9-7-6-8-10-18;/h11-26,28-45H,10,46H2,1-9H3;2*6-9,11-12H,1-5H3;/q3*-1;+3
• InChIKey: HFLKDVWVCLWFTF-UHFFFAOYSA-N
• XLogP: 30.11
• TPSA: 76.46 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 15
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1821.40
LogP ≤ 5	30.11
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 3-dibenzofuran-2-yl-9-[3-[9-[4-[2,4-dimethyl-4-[4-[1-(2,3,4,5,6-pentamethylphenyl)imidazol-2-yl]benzene-5-id-1-yl]hexan-2-yl]phenyl]carbazol-3-yl]phenyl]carbazole;iridium(3+);bis(1-(2,3,4,5,6-pentamethylphenyl)-2-phenylimidazole)?

The IUPAC name of 3-dibenzofuran-2-yl-9-[3-[9-[4-[2,4-dimethyl-4-[4-[1-(2,3,4,5,6-pentamethylphenyl)imidazol-2-yl]benzene-5-id-1-yl]hexan-2-yl]phenyl]carbazol-3-yl]phenyl]carbazole;iridium(3+);bis(1-(2,3,4,5,6-pentamethylphenyl)-2-phenylimidazole) (CID 59196768) is 3-dibenzofuran-2-yl-9-[3-[9-[4-[2,4-dimethyl-4-[4-[1-(2,3,4,5,6-pentamethylphenyl)imidazol-2-yl]benzene-5-id-1-yl]hexan-2-yl]phenyl]carbazol-3-yl]phenyl]carbazole;iridium(3+);bis(1-(2,3,4,5,6-pentamethylphenyl)-2-phenylimidazole).

What is the SMILES notation for 3-dibenzofuran-2-yl-9-[3-[9-[4-[2,4-dimethyl-4-[4-[1-(2,3,4,5,6-pentamethylphenyl)imidazol-2-yl]benzene-5-id-1-yl]hexan-2-yl]phenyl]carbazol-3-yl]phenyl]carbazole;iridium(3+);bis(1-(2,3,4,5,6-pentamethylphenyl)-2-phenylimidazole)?

The canonical SMILES for 3-dibenzofuran-2-yl-9-[3-[9-[4-[2,4-dimethyl-4-[4-[1-(2,3,4,5,6-pentamethylphenyl)imidazol-2-yl]benzene-5-id-1-yl]hexan-2-yl]phenyl]carbazol-3-yl]phenyl]carbazole;iridium(3+);bis(1-(2,3,4,5,6-pentamethylphenyl)-2-phenylimidazole) is CCC(C)(CC(C)(C)c1ccc(-n2c3ccccc3c3cc(-c4cccc(-n5c6ccccc6c6cc(-c7ccc8oc9ccccc9c8c7)ccc65)c4)ccc32)cc1)c1c[c-]c(-c2nccn2-c2c(C)c(C)c(C)c(C)c2C)cc1.Cc1c(C)c(C)c(-n2ccnc2-c2[c-]cccc2)c(C)c1C.Cc1c(C)c(C)c(-n2ccnc2-c2[c-]cccc2)c(C)c1C.[Ir+3].

What is the InChIKey of 3-dibenzofuran-2-yl-9-[3-[9-[4-[2,4-dimethyl-4-[4-[1-(2,3,4,5,6-pentamethylphenyl)imidazol-2-yl]benzene-5-id-1-yl]hexan-2-yl]phenyl]carbazol-3-yl]phenyl]carbazole;iridium(3+);bis(1-(2,3,4,5,6-pentamethylphenyl)-2-phenylimidazole)?

The InChIKey is HFLKDVWVCLWFTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H65N4O.2C20H21N2.Ir/c1-10-76(9,58-31-26-52(27-32-58)74-77-40-41-78(74)73-50(5)48(3)47(2)49(4)51(73)6)46-75(7,8)57-33-35-59(36-34-57)79-67-23-14-11-20-61(67)64-43-54(28-37-69(64)79)53-18-17-19-60(42-53)80-68-24-15-12-21-62(68)65-44-55(29-38-70(65)80)56-30-39-72-66(45-56)63-22-13-16-25-71(63)81-72;2*1-13-14(2)16(4)19(17(5)15(13)3)22-12-11-21-20(22)18-9-7-6-8-10-18;/h11-26,28-45H,10,46H2,1-9H3;2*6-9,11-12H,1-5H3;/q3*-1;+3.

What are the key properties of 3-dibenzofuran-2-yl-9-[3-[9-[4-[2,4-dimethyl-4-[4-[1-(2,3,4,5,6-pentamethylphenyl)imidazol-2-yl]benzene-5-id-1-yl]hexan-2-yl]phenyl]carbazol-3-yl]phenyl]carbazole;iridium(3+);bis(1-(2,3,4,5,6-pentamethylphenyl)-2-phenylimidazole)?

3-dibenzofuran-2-yl-9-[3-[9-[4-[2,4-dimethyl-4-[4-[1-(2,3,4,5,6-pentamethylphenyl)imidazol-2-yl]benzene-5-id-1-yl]hexan-2-yl]phenyl]carbazol-3-yl]phenyl]carbazole;iridium(3+);bis(1-(2,3,4,5,6-pentamethylphenyl)-2-phenylimidazole) has a molecular weight of 1821.40 g/mol, XLogP of 30.11, 15 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-dibenzofuran-2-yl-9-[3-[9-[4-[2,4-dimethyl-4-[4-[1-(2,3,4,5,6-pentamethylphenyl)imidazol-2-yl]benzene-5-id-1-yl]hexan-2-yl]phenyl]carbazol-3-yl]phenyl]carbazole;iridium(3+);bis(1-(2,3,4,5,6-pentamethylphenyl)-2-phenylimidazole) is sourced from PubChem (CID 59196768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).