9-[5-(4-tert-butyl-2-pyridinyl)-2-[2-[3-[2-[4-(4-tert-butyl-2-pyridinyl)-2-carbazol-9-ylbenzene-5-id-1-yl]phenyl]-5-[2-(2-phenyl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]benzene-4-id-1-yl]carbazole;2-[3-dibenzofuran-1-yl-4-[2-[3-[2-[2-dibenzofuran-1-yl-4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)-2-pyridinyl]benzene-5-id-1-yl]phenyl]-5-[2-(2-phenyl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]benzene-6-id-1-yl]-5-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine;bis(iridium(3+))

C190H132F6Ir2N8O2 — CID 161274929

About 9-[5-(4-tert-butyl-2-pyridinyl)-2-[2-[3-[2-[4-(4-tert-butyl-2-pyridinyl)-2-carbazol-9-ylbenzene-5-id-1-yl]phenyl]-5-[2-(2-phenyl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]benzene-4-id-1-yl]carbazole;2-[3-dibenzofuran-1-yl-4-[2-[3-[2-[2-dibenzofuran-1-yl-4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)-2-pyridinyl]benzene-5-id-1-yl]phenyl]-5-[2-(2-phenyl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]benzene-6-id-1-yl]-5-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine;bis(iridium(3+))

9-[5-(4-tert-butyl-2-pyridinyl)-2-[2-[3-[2-[4-(4-tert-butyl-2-pyridinyl)-2-carbazol-9-ylbenzene-5-id-1-yl]phenyl]-5-[2-(2-phenyl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]benzene-4-id-1-yl]carbazole;2-[3-dibenzofuran-1-yl-4-[2-[3-[2-[2-dibenzofuran-1-yl-4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)-2-pyridinyl]benzene-5-id-1-yl]phenyl]-5-[2-(2-phenyl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]benzene-6-id-1-yl]-5-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine;bis(iridium(3+)) (PubChem CID 161274929) has the molecular formula C190H132F6Ir2N8O2 and a molecular weight of 3057.62 g/mol. Its IUPAC name is 9-[5-(4-tert-butyl-2-pyridinyl)-2-[2-[3-[2-[4-(4-tert-butyl-2-pyridinyl)-2-carbazol-9-ylbenzene-5-id-1-yl]phenyl]-5-[2-(2-phenyl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]benzene-4-id-1-yl]carbazole;2-[3-dibenzofuran-1-yl-4-[2-[3-[2-[2-dibenzofuran-1-yl-4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)-2-pyridinyl]benzene-5-id-1-yl]phenyl]-5-[2-(2-phenyl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]benzene-6-id-1-yl]-5-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine;bis(iridium(3+)).

Molecular Properties

• Compound Name: 9-[5-(4-tert-butyl-2-pyridinyl)-2-[2-[3-[2-[4-(4-tert-butyl-2-pyridinyl)-2-carbazol-9-ylbenzene-5-id-1-yl]phenyl]-5-[2-(2-phenyl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]benzene-4-id-1-yl]carbazole;2-[3-dibenzofuran-1-yl-4-[2-[3-[2-[2-dibenzofuran-1-yl-4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)-2-pyridinyl]benzene-5-id-1-yl]phenyl]-5-[2-(2-phenyl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]benzene-6-id-1-yl]-5-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine;bis(iridium(3+))
• PubChem CID: 161274929
• Molecular Formula: C190H132F6Ir2N8O2
• Molecular Weight: 3057.62 g/mol
• Exact Mass: 3056.96
• IUPAC Name: 9-[5-(4-tert-butyl-2-pyridinyl)-2-[2-[3-[2-[4-(4-tert-butyl-2-pyridinyl)-2-carbazol-9-ylbenzene-5-id-1-yl]phenyl]-5-[2-(2-phenyl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]benzene-4-id-1-yl]carbazole;2-[3-dibenzofuran-1-yl-4-[2-[3-[2-[2-dibenzofuran-1-yl-4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)-2-pyridinyl]benzene-5-id-1-yl]phenyl]-5-[2-(2-phenyl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]benzene-6-id-1-yl]-5-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine;bis(iridium(3+))
• SMILES: CC(C)(C)c1ccnc(-c2[c-]cc(-c3ccccc3-c3cc(-c4ccccc4-c4c[c-]c(-c5ccccn5)cc4-c4ccccc4)cc(-c4ccccc4-c4c[c-]c(-c5cc(C(C)(C)C)ccn5)cc4-n4c5ccccc5c5ccccc54)c3)c(-n3c4ccccc4c4ccccc43)c2)c1.CC(C)(c1ccc(-c2[c-]cc(-c3ccccc3-c3cc(-c4ccccc4-c4c[c-]c(-c5ccccn5)cc4-c4ccccc4)cc(-c4ccccc4-c4c[c-]c(-c5cc(C(C)(C)C(F)(F)F)ccn5)cc4-c4cccc5oc6ccccc6c45)c3)c(-c3cccc4oc5ccccc5c34)c2)nc1)C(F)(F)F.[Ir+3].[Ir+3]
• InChI: InChI=1S/C95H62F6N3O2.C95H70N5.2Ir/c1-92(2,94(96,97)98)65-47-49-103-85(56-65)61-41-45-75(82(55-61)77-33-21-38-89-91(77)79-31-15-17-36-87(79)106-89)72-29-13-10-26-69(72)64-51-62(67-24-8-11-27-70(67)73-43-39-59(83-34-18-19-48-102-83)53-80(73)58-22-6-5-7-23-58)50-63(52-64)68-25-9-12-28-71(68)74-44-40-60(84-46-42-66(57-104-84)93(3,4)95(99,100)101)54-81(74)76-32-20-37-88-90(76)78-30-14-16-35-86(78)105-88;1-94(2,3)69-49-52-97-86(60-69)64-44-47-82(92(58-64)99-88-39-20-16-34-78(88)79-35-17-21-40-89(79)99)75-32-14-11-29-72(75)67-54-66(71-28-10-13-31-74(71)77-46-43-63(85-38-24-25-51-96-85)57-84(77)62-26-8-7-9-27-62)55-68(56-67)73-30-12-15-33-76(73)83-48-45-65(87-61-70(50-53-98-87)95(4,5)6)59-93(83)100-90-41-22-18-36-80(90)81-37-19-23-42-91(81)100;;/h5-38,42-57H,1-4H3;7-42,46-61H,1-6H3;;/q2*-3;2*+3
• InChIKey: CZZKPMILYYHIRJ-UHFFFAOYSA-N
• XLogP: 51.48
• TPSA: 113.48 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 26
• Heavy Atoms: 208
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	3057.62
LogP ≤ 5	51.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9-[5-(4-tert-butyl-2-pyridinyl)-2-[2-[3-[2-[4-(4-tert-butyl-2-pyridinyl)-2-carbazol-9-ylbenzene-5-id-1-yl]phenyl]-5-[2-(2-phenyl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]benzene-4-id-1-yl]carbazole;2-[3-dibenzofuran-1-yl-4-[2-[3-[2-[2-dibenzofuran-1-yl-4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)-2-pyridinyl]benzene-5-id-1-yl]phenyl]-5-[2-(2-phenyl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]benzene-6-id-1-yl]-5-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine;bis(iridium(3+))?

The IUPAC name of 9-[5-(4-tert-butyl-2-pyridinyl)-2-[2-[3-[2-[4-(4-tert-butyl-2-pyridinyl)-2-carbazol-9-ylbenzene-5-id-1-yl]phenyl]-5-[2-(2-phenyl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]benzene-4-id-1-yl]carbazole;2-[3-dibenzofuran-1-yl-4-[2-[3-[2-[2-dibenzofuran-1-yl-4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)-2-pyridinyl]benzene-5-id-1-yl]phenyl]-5-[2-(2-phenyl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]benzene-6-id-1-yl]-5-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine;bis(iridium(3+)) (CID 161274929) is 9-[5-(4-tert-butyl-2-pyridinyl)-2-[2-[3-[2-[4-(4-tert-butyl-2-pyridinyl)-2-carbazol-9-ylbenzene-5-id-1-yl]phenyl]-5-[2-(2-phenyl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]benzene-4-id-1-yl]carbazole;2-[3-dibenzofuran-1-yl-4-[2-[3-[2-[2-dibenzofuran-1-yl-4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)-2-pyridinyl]benzene-5-id-1-yl]phenyl]-5-[2-(2-phenyl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]benzene-6-id-1-yl]-5-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine;bis(iridium(3+)).

What is the SMILES notation for 9-[5-(4-tert-butyl-2-pyridinyl)-2-[2-[3-[2-[4-(4-tert-butyl-2-pyridinyl)-2-carbazol-9-ylbenzene-5-id-1-yl]phenyl]-5-[2-(2-phenyl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]benzene-4-id-1-yl]carbazole;2-[3-dibenzofuran-1-yl-4-[2-[3-[2-[2-dibenzofuran-1-yl-4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)-2-pyridinyl]benzene-5-id-1-yl]phenyl]-5-[2-(2-phenyl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]benzene-6-id-1-yl]-5-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine;bis(iridium(3+))?

The canonical SMILES for 9-[5-(4-tert-butyl-2-pyridinyl)-2-[2-[3-[2-[4-(4-tert-butyl-2-pyridinyl)-2-carbazol-9-ylbenzene-5-id-1-yl]phenyl]-5-[2-(2-phenyl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]benzene-4-id-1-yl]carbazole;2-[3-dibenzofuran-1-yl-4-[2-[3-[2-[2-dibenzofuran-1-yl-4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)-2-pyridinyl]benzene-5-id-1-yl]phenyl]-5-[2-(2-phenyl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]benzene-6-id-1-yl]-5-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine;bis(iridium(3+)) is CC(C)(C)c1ccnc(-c2[c-]cc(-c3ccccc3-c3cc(-c4ccccc4-c4c[c-]c(-c5ccccn5)cc4-c4ccccc4)cc(-c4ccccc4-c4c[c-]c(-c5cc(C(C)(C)C)ccn5)cc4-n4c5ccccc5c5ccccc54)c3)c(-n3c4ccccc4c4ccccc43)c2)c1.CC(C)(c1ccc(-c2[c-]cc(-c3ccccc3-c3cc(-c4ccccc4-c4c[c-]c(-c5ccccn5)cc4-c4ccccc4)cc(-c4ccccc4-c4c[c-]c(-c5cc(C(C)(C)C(F)(F)F)ccn5)cc4-c4cccc5oc6ccccc6c45)c3)c(-c3cccc4oc5ccccc5c34)c2)nc1)C(F)(F)F.[Ir+3].[Ir+3].

What is the InChIKey of 9-[5-(4-tert-butyl-2-pyridinyl)-2-[2-[3-[2-[4-(4-tert-butyl-2-pyridinyl)-2-carbazol-9-ylbenzene-5-id-1-yl]phenyl]-5-[2-(2-phenyl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]benzene-4-id-1-yl]carbazole;2-[3-dibenzofuran-1-yl-4-[2-[3-[2-[2-dibenzofuran-1-yl-4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)-2-pyridinyl]benzene-5-id-1-yl]phenyl]-5-[2-(2-phenyl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]benzene-6-id-1-yl]-5-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine;bis(iridium(3+))?

The InChIKey is CZZKPMILYYHIRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C95H62F6N3O2.C95H70N5.2Ir/c1-92(2,94(96,97)98)65-47-49-103-85(56-65)61-41-45-75(82(55-61)77-33-21-38-89-91(77)79-31-15-17-36-87(79)106-89)72-29-13-10-26-69(72)64-51-62(67-24-8-11-27-70(67)73-43-39-59(83-34-18-19-48-102-83)53-80(73)58-22-6-5-7-23-58)50-63(52-64)68-25-9-12-28-71(68)74-44-40-60(84-46-42-66(57-104-84)93(3,4)95(99,100)101)54-81(74)76-32-20-37-88-90(76)78-30-14-16-35-86(78)105-88;1-94(2,3)69-49-52-97-86(60-69)64-44-47-82(92(58-64)99-88-39-20-16-34-78(88)79-35-17-21-40-89(79)99)75-32-14-11-29-72(75)67-54-66(71-28-10-13-31-74(71)77-46-43-63(85-38-24-25-51-96-85)57-84(77)62-26-8-7-9-27-62)55-68(56-67)73-30-12-15-33-76(73)83-48-45-65(87-61-70(50-53-98-87)95(4,5)6)59-93(83)100-90-41-22-18-36-80(90)81-37-19-23-42-91(81)100;;/h5-38,42-57H,1-4H3;7-42,46-61H,1-6H3;;/q2*-3;2*+3.

What are the key properties of 9-[5-(4-tert-butyl-2-pyridinyl)-2-[2-[3-[2-[4-(4-tert-butyl-2-pyridinyl)-2-carbazol-9-ylbenzene-5-id-1-yl]phenyl]-5-[2-(2-phenyl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]benzene-4-id-1-yl]carbazole;2-[3-dibenzofuran-1-yl-4-[2-[3-[2-[2-dibenzofuran-1-yl-4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)-2-pyridinyl]benzene-5-id-1-yl]phenyl]-5-[2-(2-phenyl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]benzene-6-id-1-yl]-5-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine;bis(iridium(3+))?

9-[5-(4-tert-butyl-2-pyridinyl)-2-[2-[3-[2-[4-(4-tert-butyl-2-pyridinyl)-2-carbazol-9-ylbenzene-5-id-1-yl]phenyl]-5-[2-(2-phenyl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]benzene-4-id-1-yl]carbazole;2-[3-dibenzofuran-1-yl-4-[2-[3-[2-[2-dibenzofuran-1-yl-4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)-2-pyridinyl]benzene-5-id-1-yl]phenyl]-5-[2-(2-phenyl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]benzene-6-id-1-yl]-5-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine;bis(iridium(3+)) has a molecular weight of 3057.62 g/mol, XLogP of 51.48, 26 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[5-(4-tert-butyl-2-pyridinyl)-2-[2-[3-[2-[4-(4-tert-butyl-2-pyridinyl)-2-carbazol-9-ylbenzene-5-id-1-yl]phenyl]-5-[2-(2-phenyl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]benzene-4-id-1-yl]carbazole;2-[3-dibenzofuran-1-yl-4-[2-[3-[2-[2-dibenzofuran-1-yl-4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)-2-pyridinyl]benzene-5-id-1-yl]phenyl]-5-[2-(2-phenyl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]benzene-6-id-1-yl]-5-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine;bis(iridium(3+)) is sourced from PubChem (CID 161274929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).