3-[8-butan-2-yloxy-6-[3-[3-carbazol-9-yl-5-(2,3,4,5-tetramethylpyrrol-1-yl)phenyl]-2-methylindol-1-yl]dibenzofuran-2-yl]-9-[3-[3-[8-[2-[4-[1-(2-ethyl-6-methylphenyl)imidazol-2-yl]benzene-5-id-1-yl]ethyl]-4,6-diphenyldibenzofuran-2-yl]carbazol-9-yl]-2,4,6-trimethylphenyl]carbazole;1-(2-ethyl-4,6-dimethylphenyl)-2-phenylimidazole;1-(2-ethyl-6-methylphenyl)-2-phenylimidazole;iridium(3+)

C165H138IrN11O3 — CID 58099572

About 3-[8-butan-2-yloxy-6-[3-[3-carbazol-9-yl-5-(2,3,4,5-tetramethylpyrrol-1-yl)phenyl]-2-methylindol-1-yl]dibenzofuran-2-yl]-9-[3-[3-[8-[2-[4-[1-(2-ethyl-6-methylphenyl)imidazol-2-yl]benzene-5-id-1-yl]ethyl]-4,6-diphenyldibenzofuran-2-yl]carbazol-9-yl]-2,4,6-trimethylphenyl]carbazole;1-(2-ethyl-4,6-dimethylphenyl)-2-phenylimidazole;1-(2-ethyl-6-methylphenyl)-2-phenylimidazole;iridium(3+)

3-[8-butan-2-yloxy-6-[3-[3-carbazol-9-yl-5-(2,3,4,5-tetramethylpyrrol-1-yl)phenyl]-2-methylindol-1-yl]dibenzofuran-2-yl]-9-[3-[3-[8-[2-[4-[1-(2-ethyl-6-methylphenyl)imidazol-2-yl]benzene-5-id-1-yl]ethyl]-4,6-diphenyldibenzofuran-2-yl]carbazol-9-yl]-2,4,6-trimethylphenyl]carbazole;1-(2-ethyl-4,6-dimethylphenyl)-2-phenylimidazole;1-(2-ethyl-6-methylphenyl)-2-phenylimidazole;iridium(3+) (PubChem CID 58099572) has the molecular formula C165H138IrN11O3 and a molecular weight of 2515.21 g/mol. Its IUPAC name is 3-[8-butan-2-yloxy-6-[3-[3-carbazol-9-yl-5-(2,3,4,5-tetramethylpyrrol-1-yl)phenyl]-2-methylindol-1-yl]dibenzofuran-2-yl]-9-[3-[3-[8-[2-[4-[1-(2-ethyl-6-methylphenyl)imidazol-2-yl]benzene-5-id-1-yl]ethyl]-4,6-diphenyldibenzofuran-2-yl]carbazol-9-yl]-2,4,6-trimethylphenyl]carbazole;1-(2-ethyl-4,6-dimethylphenyl)-2-phenylimidazole;1-(2-ethyl-6-methylphenyl)-2-phenylimidazole;iridium(3+).

Molecular Properties

• Compound Name: 3-[8-butan-2-yloxy-6-[3-[3-carbazol-9-yl-5-(2,3,4,5-tetramethylpyrrol-1-yl)phenyl]-2-methylindol-1-yl]dibenzofuran-2-yl]-9-[3-[3-[8-[2-[4-[1-(2-ethyl-6-methylphenyl)imidazol-2-yl]benzene-5-id-1-yl]ethyl]-4,6-diphenyldibenzofuran-2-yl]carbazol-9-yl]-2,4,6-trimethylphenyl]carbazole;1-(2-ethyl-4,6-dimethylphenyl)-2-phenylimidazole;1-(2-ethyl-6-methylphenyl)-2-phenylimidazole;iridium(3+)
• PubChem CID: 58099572
• Molecular Formula: C165H138IrN11O3
• Molecular Weight: 2515.21 g/mol
• Exact Mass: 2514.06
• IUPAC Name: 3-[8-butan-2-yloxy-6-[3-[3-carbazol-9-yl-5-(2,3,4,5-tetramethylpyrrol-1-yl)phenyl]-2-methylindol-1-yl]dibenzofuran-2-yl]-9-[3-[3-[8-[2-[4-[1-(2-ethyl-6-methylphenyl)imidazol-2-yl]benzene-5-id-1-yl]ethyl]-4,6-diphenyldibenzofuran-2-yl]carbazol-9-yl]-2,4,6-trimethylphenyl]carbazole;1-(2-ethyl-4,6-dimethylphenyl)-2-phenylimidazole;1-(2-ethyl-6-methylphenyl)-2-phenylimidazole;iridium(3+)
• SMILES: CCc1cc(C)cc(C)c1-n1ccnc1-c1[c-]cccc1.CCc1cccc(C)c1-n1ccnc1-c1[c-]cc(CCc2cc(-c3ccccc3)c3oc4c(-c5ccccc5)cc(-c5ccc6c(c5)c5ccccc5n6-c5c(C)cc(C)c(-n6c7ccccc7c7cc(-c8ccc9oc%10c(-n%11c(C)c(-c%12cc(-n%13c(C)c(C)c(C)c%13C)cc(-n%13c%14ccccc%14c%14ccccc%14%13)c%12)c%12ccccc%12%11)cc(OC(C)CC)cc%10c9c8)ccc76)c5C)cc4c3c2)cc1.CCc1cccc(C)c1-n1ccnc1-c1[c-]cccc1.[Ir+3]
• InChI: InChI=1S/C128H102N7O3.C19H19N2.C18H17N2.Ir/c1-13-78(6)136-98-73-111-108-69-92(56-59-120(108)137-127(111)119(74-98)132-84(12)121(103-42-25-30-47-116(103)132)95-65-96(131-82(10)79(7)80(8)83(131)11)72-97(66-95)133-112-43-26-21-38-99(112)100-39-22-27-44-113(100)133)91-54-57-117-106(67-91)101-40-23-28-45-114(101)134(117)122-76(4)62-77(5)123(81(122)9)135-115-46-29-24-41-102(115)107-68-93(55-58-118(107)135)94-70-105(89-35-19-16-20-36-89)126-110(71-94)109-64-86(63-104(125(109)138-126)88-33-17-15-18-34-88)49-48-85-50-52-90(53-51-85)128-129-60-61-130(128)124-75(3)32-31-37-87(124)14-2;1-4-16-13-14(2)12-15(3)18(16)21-11-10-20-19(21)17-8-6-5-7-9-17;1-3-15-11-7-8-14(2)17(15)20-13-12-19-18(20)16-9-5-4-6-10-16;/h15-47,50-52,54-74,78H,13-14,48-49H2,1-12H3;5-8,10-13H,4H2,1-3H3;4-9,11-13H,3H2,1-2H3;/q3*-1;+3
• InChIKey: OKNYQHFIGPTNCC-UHFFFAOYSA-N
• XLogP: 42.53
• TPSA: 113.62 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 25
• Heavy Atoms: 180
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2515.21
LogP ≤ 5	42.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[8-butan-2-yloxy-6-[3-[3-carbazol-9-yl-5-(2,3,4,5-tetramethylpyrrol-1-yl)phenyl]-2-methylindol-1-yl]dibenzofuran-2-yl]-9-[3-[3-[8-[2-[4-[1-(2-ethyl-6-methylphenyl)imidazol-2-yl]benzene-5-id-1-yl]ethyl]-4,6-diphenyldibenzofuran-2-yl]carbazol-9-yl]-2,4,6-trimethylphenyl]carbazole;1-(2-ethyl-4,6-dimethylphenyl)-2-phenylimidazole;1-(2-ethyl-6-methylphenyl)-2-phenylimidazole;iridium(3+)?

The IUPAC name of 3-[8-butan-2-yloxy-6-[3-[3-carbazol-9-yl-5-(2,3,4,5-tetramethylpyrrol-1-yl)phenyl]-2-methylindol-1-yl]dibenzofuran-2-yl]-9-[3-[3-[8-[2-[4-[1-(2-ethyl-6-methylphenyl)imidazol-2-yl]benzene-5-id-1-yl]ethyl]-4,6-diphenyldibenzofuran-2-yl]carbazol-9-yl]-2,4,6-trimethylphenyl]carbazole;1-(2-ethyl-4,6-dimethylphenyl)-2-phenylimidazole;1-(2-ethyl-6-methylphenyl)-2-phenylimidazole;iridium(3+) (CID 58099572) is 3-[8-butan-2-yloxy-6-[3-[3-carbazol-9-yl-5-(2,3,4,5-tetramethylpyrrol-1-yl)phenyl]-2-methylindol-1-yl]dibenzofuran-2-yl]-9-[3-[3-[8-[2-[4-[1-(2-ethyl-6-methylphenyl)imidazol-2-yl]benzene-5-id-1-yl]ethyl]-4,6-diphenyldibenzofuran-2-yl]carbazol-9-yl]-2,4,6-trimethylphenyl]carbazole;1-(2-ethyl-4,6-dimethylphenyl)-2-phenylimidazole;1-(2-ethyl-6-methylphenyl)-2-phenylimidazole;iridium(3+).

What is the SMILES notation for 3-[8-butan-2-yloxy-6-[3-[3-carbazol-9-yl-5-(2,3,4,5-tetramethylpyrrol-1-yl)phenyl]-2-methylindol-1-yl]dibenzofuran-2-yl]-9-[3-[3-[8-[2-[4-[1-(2-ethyl-6-methylphenyl)imidazol-2-yl]benzene-5-id-1-yl]ethyl]-4,6-diphenyldibenzofuran-2-yl]carbazol-9-yl]-2,4,6-trimethylphenyl]carbazole;1-(2-ethyl-4,6-dimethylphenyl)-2-phenylimidazole;1-(2-ethyl-6-methylphenyl)-2-phenylimidazole;iridium(3+)?

The canonical SMILES for 3-[8-butan-2-yloxy-6-[3-[3-carbazol-9-yl-5-(2,3,4,5-tetramethylpyrrol-1-yl)phenyl]-2-methylindol-1-yl]dibenzofuran-2-yl]-9-[3-[3-[8-[2-[4-[1-(2-ethyl-6-methylphenyl)imidazol-2-yl]benzene-5-id-1-yl]ethyl]-4,6-diphenyldibenzofuran-2-yl]carbazol-9-yl]-2,4,6-trimethylphenyl]carbazole;1-(2-ethyl-4,6-dimethylphenyl)-2-phenylimidazole;1-(2-ethyl-6-methylphenyl)-2-phenylimidazole;iridium(3+) is CCc1cc(C)cc(C)c1-n1ccnc1-c1[c-]cccc1.CCc1cccc(C)c1-n1ccnc1-c1[c-]cc(CCc2cc(-c3ccccc3)c3oc4c(-c5ccccc5)cc(-c5ccc6c(c5)c5ccccc5n6-c5c(C)cc(C)c(-n6c7ccccc7c7cc(-c8ccc9oc%10c(-n%11c(C)c(-c%12cc(-n%13c(C)c(C)c(C)c%13C)cc(-n%13c%14ccccc%14c%14ccccc%14%13)c%12)c%12ccccc%12%11)cc(OC(C)CC)cc%10c9c8)ccc76)c5C)cc4c3c2)cc1.CCc1cccc(C)c1-n1ccnc1-c1[c-]cccc1.[Ir+3].

What is the InChIKey of 3-[8-butan-2-yloxy-6-[3-[3-carbazol-9-yl-5-(2,3,4,5-tetramethylpyrrol-1-yl)phenyl]-2-methylindol-1-yl]dibenzofuran-2-yl]-9-[3-[3-[8-[2-[4-[1-(2-ethyl-6-methylphenyl)imidazol-2-yl]benzene-5-id-1-yl]ethyl]-4,6-diphenyldibenzofuran-2-yl]carbazol-9-yl]-2,4,6-trimethylphenyl]carbazole;1-(2-ethyl-4,6-dimethylphenyl)-2-phenylimidazole;1-(2-ethyl-6-methylphenyl)-2-phenylimidazole;iridium(3+)?

The InChIKey is OKNYQHFIGPTNCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C128H102N7O3.C19H19N2.C18H17N2.Ir/c1-13-78(6)136-98-73-111-108-69-92(56-59-120(108)137-127(111)119(74-98)132-84(12)121(103-42-25-30-47-116(103)132)95-65-96(131-82(10)79(7)80(8)83(131)11)72-97(66-95)133-112-43-26-21-38-99(112)100-39-22-27-44-113(100)133)91-54-57-117-106(67-91)101-40-23-28-45-114(101)134(117)122-76(4)62-77(5)123(81(122)9)135-115-46-29-24-41-102(115)107-68-93(55-58-118(107)135)94-70-105(89-35-19-16-20-36-89)126-110(71-94)109-64-86(63-104(125(109)138-126)88-33-17-15-18-34-88)49-48-85-50-52-90(53-51-85)128-129-60-61-130(128)124-75(3)32-31-37-87(124)14-2;1-4-16-13-14(2)12-15(3)18(16)21-11-10-20-19(21)17-8-6-5-7-9-17;1-3-15-11-7-8-14(2)17(15)20-13-12-19-18(20)16-9-5-4-6-10-16;/h15-47,50-52,54-74,78H,13-14,48-49H2,1-12H3;5-8,10-13H,4H2,1-3H3;4-9,11-13H,3H2,1-2H3;/q3*-1;+3.

What are the key properties of 3-[8-butan-2-yloxy-6-[3-[3-carbazol-9-yl-5-(2,3,4,5-tetramethylpyrrol-1-yl)phenyl]-2-methylindol-1-yl]dibenzofuran-2-yl]-9-[3-[3-[8-[2-[4-[1-(2-ethyl-6-methylphenyl)imidazol-2-yl]benzene-5-id-1-yl]ethyl]-4,6-diphenyldibenzofuran-2-yl]carbazol-9-yl]-2,4,6-trimethylphenyl]carbazole;1-(2-ethyl-4,6-dimethylphenyl)-2-phenylimidazole;1-(2-ethyl-6-methylphenyl)-2-phenylimidazole;iridium(3+)?

3-[8-butan-2-yloxy-6-[3-[3-carbazol-9-yl-5-(2,3,4,5-tetramethylpyrrol-1-yl)phenyl]-2-methylindol-1-yl]dibenzofuran-2-yl]-9-[3-[3-[8-[2-[4-[1-(2-ethyl-6-methylphenyl)imidazol-2-yl]benzene-5-id-1-yl]ethyl]-4,6-diphenyldibenzofuran-2-yl]carbazol-9-yl]-2,4,6-trimethylphenyl]carbazole;1-(2-ethyl-4,6-dimethylphenyl)-2-phenylimidazole;1-(2-ethyl-6-methylphenyl)-2-phenylimidazole;iridium(3+) has a molecular weight of 2515.21 g/mol, XLogP of 42.53, 25 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[8-butan-2-yloxy-6-[3-[3-carbazol-9-yl-5-(2,3,4,5-tetramethylpyrrol-1-yl)phenyl]-2-methylindol-1-yl]dibenzofuran-2-yl]-9-[3-[3-[8-[2-[4-[1-(2-ethyl-6-methylphenyl)imidazol-2-yl]benzene-5-id-1-yl]ethyl]-4,6-diphenyldibenzofuran-2-yl]carbazol-9-yl]-2,4,6-trimethylphenyl]carbazole;1-(2-ethyl-4,6-dimethylphenyl)-2-phenylimidazole;1-(2-ethyl-6-methylphenyl)-2-phenylimidazole;iridium(3+) is sourced from PubChem (CID 58099572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).