2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]-3-dibenzofuran-4-ylbenzene-6-id-1-yl]-4,5-dimethylpyridine;2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]-3-[4-(3-methylphenyl)phenyl]benzene-6-id-1-yl]-4,5-dimethylpyridine;2-[4-[2-[3-[2-[2-(4-dibenzofuran-3-ylphenyl)-4-pyridin-2-ylbenzene-5-id-1-yl]phenyl]-5-[2-[4-(4,5-dimethyl-2-pyridinyl)benzene-5-id-1-yl]phenyl]phenyl]phenyl]benzene-6-id-1-yl]-4,5-dimethylpyridine;tris(iridium(3+))

C222H150Ir3N9O2 — CID 158008151

About 2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]-3-dibenzofuran-4-ylbenzene-6-id-1-yl]-4,5-dimethylpyridine;2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]-3-[4-(3-methylphenyl)phenyl]benzene-6-id-1-yl]-4,5-dimethylpyridine;2-[4-[2-[3-[2-[2-(4-dibenzofuran-3-ylphenyl)-4-pyridin-2-ylbenzene-5-id-1-yl]phenyl]-5-[2-[4-(4,5-dimethyl-2-pyridinyl)benzene-5-id-1-yl]phenyl]phenyl]phenyl]benzene-6-id-1-yl]-4,5-dimethylpyridine;tris(iridium(3+))

2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]-3-dibenzofuran-4-ylbenzene-6-id-1-yl]-4,5-dimethylpyridine;2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]-3-[4-(3-methylphenyl)phenyl]benzene-6-id-1-yl]-4,5-dimethylpyridine;2-[4-[2-[3-[2-[2-(4-dibenzofuran-3-ylphenyl)-4-pyridin-2-ylbenzene-5-id-1-yl]phenyl]-5-[2-[4-(4,5-dimethyl-2-pyridinyl)benzene-5-id-1-yl]phenyl]phenyl]phenyl]benzene-6-id-1-yl]-4,5-dimethylpyridine;tris(iridium(3+)) (PubChem CID 158008151) has the molecular formula C222H150Ir3N9O2 and a molecular weight of 3552.35 g/mol. Its IUPAC name is 2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]-3-dibenzofuran-4-ylbenzene-6-id-1-yl]-4,5-dimethylpyridine;2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]-3-[4-(3-methylphenyl)phenyl]benzene-6-id-1-yl]-4,5-dimethylpyridine;2-[4-[2-[3-[2-[2-(4-dibenzofuran-3-ylphenyl)-4-pyridin-2-ylbenzene-5-id-1-yl]phenyl]-5-[2-[4-(4,5-dimethyl-2-pyridinyl)benzene-5-id-1-yl]phenyl]phenyl]phenyl]benzene-6-id-1-yl]-4,5-dimethylpyridine;tris(iridium(3+)).

Molecular Properties

• Compound Name: 2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]-3-dibenzofuran-4-ylbenzene-6-id-1-yl]-4,5-dimethylpyridine;2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]-3-[4-(3-methylphenyl)phenyl]benzene-6-id-1-yl]-4,5-dimethylpyridine;2-[4-[2-[3-[2-[2-(4-dibenzofuran-3-ylphenyl)-4-pyridin-2-ylbenzene-5-id-1-yl]phenyl]-5-[2-[4-(4,5-dimethyl-2-pyridinyl)benzene-5-id-1-yl]phenyl]phenyl]phenyl]benzene-6-id-1-yl]-4,5-dimethylpyridine;tris(iridium(3+))
• PubChem CID: 158008151
• Molecular Formula: C222H150Ir3N9O2
• Molecular Weight: 3552.35 g/mol
• Exact Mass: 3552.08
• IUPAC Name: 2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]-3-dibenzofuran-4-ylbenzene-6-id-1-yl]-4,5-dimethylpyridine;2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]-3-[4-(3-methylphenyl)phenyl]benzene-6-id-1-yl]-4,5-dimethylpyridine;2-[4-[2-[3-[2-[2-(4-dibenzofuran-3-ylphenyl)-4-pyridin-2-ylbenzene-5-id-1-yl]phenyl]-5-[2-[4-(4,5-dimethyl-2-pyridinyl)benzene-5-id-1-yl]phenyl]phenyl]phenyl]benzene-6-id-1-yl]-4,5-dimethylpyridine;tris(iridium(3+))
• SMILES: Cc1cccc(-c2ccc(-c3cc(-c4cc(C)c(C)cn4)[c-]cc3-c3ccccc3-c3cc(-c4ccccc4-c4c[c-]c(-c5ccccn5)cc4)cc(-c4ccccc4-c4c[c-]c(-c5ccccn5)cc4)c3)cc2)c1.Cc1cnc(-c2[c-]cc(-c3ccccc3-c3cc(-c4ccccc4-c4c[c-]c(-c5cc(C)c(C)cn5)cc4)cc(-c4ccccc4-c4c[c-]c(-c5ccccn5)cc4-c4ccc(-c5ccc6c(c5)oc5ccccc56)cc4)c3)cc2)cc1C.Cc1cnc(-c2[c-]cc(-c3ccccc3-c3cc(-c4ccccc4-c4c[c-]c(-c5ccccn5)cc4)cc(-c4ccccc4-c4c[c-]c(-c5ccccn5)cc4)c3)c(-c3cccc4c3oc3ccccc34)c2)cc1C.[Ir+3].[Ir+3].[Ir+3]
• InChI: InChI=1S/C79H54N3O.C72H50N3.C71H46N3O.3Ir/c1-50-41-76(81-48-52(50)3)58-32-28-55(29-33-58)65-15-5-7-17-67(65)62-43-63(68-18-8-6-16-66(68)56-30-34-59(35-31-56)77-42-51(2)53(4)49-82-77)45-64(44-62)69-19-9-10-20-70(69)71-38-37-61(75-22-13-14-40-80-75)46-74(71)57-26-24-54(25-27-57)60-36-39-73-72-21-11-12-23-78(72)83-79(73)47-60;1-48-15-14-16-57(41-48)51-25-27-54(28-26-51)69-46-58(72-42-49(2)50(3)47-75-72)37-38-68(69)67-22-9-8-21-66(67)61-44-59(64-19-6-4-17-62(64)52-29-33-55(34-30-52)70-23-10-12-39-73-70)43-60(45-61)65-20-7-5-18-63(65)53-31-35-56(36-32-53)71-24-11-13-40-74-71;1-46-40-69(74-45-47(46)2)52-36-37-62(66(44-52)65-24-15-23-64-63-22-9-10-27-70(63)75-71(64)65)61-21-8-7-20-60(61)55-42-53(58-18-5-3-16-56(58)48-28-32-50(33-29-48)67-25-11-13-38-72-67)41-54(43-55)59-19-6-4-17-57(59)49-30-34-51(35-31-49)68-26-12-14-39-73-68;;;/h5-32,34,36,38-49H,1-4H3;4-33,35,38-47H,1-3H3;3-32,34,37-45H,1-2H3;;;/q3*-3;3*+3
• InChIKey: IBXDUSNUJAOTNJ-UHFFFAOYSA-N
• XLogP: 57.73
• TPSA: 142.29 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 32
• Heavy Atoms: 236
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3552.35
LogP ≤ 5	57.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]-3-dibenzofuran-4-ylbenzene-6-id-1-yl]-4,5-dimethylpyridine;2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]-3-[4-(3-methylphenyl)phenyl]benzene-6-id-1-yl]-4,5-dimethylpyridine;2-[4-[2-[3-[2-[2-(4-dibenzofuran-3-ylphenyl)-4-pyridin-2-ylbenzene-5-id-1-yl]phenyl]-5-[2-[4-(4,5-dimethyl-2-pyridinyl)benzene-5-id-1-yl]phenyl]phenyl]phenyl]benzene-6-id-1-yl]-4,5-dimethylpyridine;tris(iridium(3+))?

The IUPAC name of 2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]-3-dibenzofuran-4-ylbenzene-6-id-1-yl]-4,5-dimethylpyridine;2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]-3-[4-(3-methylphenyl)phenyl]benzene-6-id-1-yl]-4,5-dimethylpyridine;2-[4-[2-[3-[2-[2-(4-dibenzofuran-3-ylphenyl)-4-pyridin-2-ylbenzene-5-id-1-yl]phenyl]-5-[2-[4-(4,5-dimethyl-2-pyridinyl)benzene-5-id-1-yl]phenyl]phenyl]phenyl]benzene-6-id-1-yl]-4,5-dimethylpyridine;tris(iridium(3+)) (CID 158008151) is 2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]-3-dibenzofuran-4-ylbenzene-6-id-1-yl]-4,5-dimethylpyridine;2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]-3-[4-(3-methylphenyl)phenyl]benzene-6-id-1-yl]-4,5-dimethylpyridine;2-[4-[2-[3-[2-[2-(4-dibenzofuran-3-ylphenyl)-4-pyridin-2-ylbenzene-5-id-1-yl]phenyl]-5-[2-[4-(4,5-dimethyl-2-pyridinyl)benzene-5-id-1-yl]phenyl]phenyl]phenyl]benzene-6-id-1-yl]-4,5-dimethylpyridine;tris(iridium(3+)).

What is the SMILES notation for 2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]-3-dibenzofuran-4-ylbenzene-6-id-1-yl]-4,5-dimethylpyridine;2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]-3-[4-(3-methylphenyl)phenyl]benzene-6-id-1-yl]-4,5-dimethylpyridine;2-[4-[2-[3-[2-[2-(4-dibenzofuran-3-ylphenyl)-4-pyridin-2-ylbenzene-5-id-1-yl]phenyl]-5-[2-[4-(4,5-dimethyl-2-pyridinyl)benzene-5-id-1-yl]phenyl]phenyl]phenyl]benzene-6-id-1-yl]-4,5-dimethylpyridine;tris(iridium(3+))?

The canonical SMILES for 2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]-3-dibenzofuran-4-ylbenzene-6-id-1-yl]-4,5-dimethylpyridine;2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]-3-[4-(3-methylphenyl)phenyl]benzene-6-id-1-yl]-4,5-dimethylpyridine;2-[4-[2-[3-[2-[2-(4-dibenzofuran-3-ylphenyl)-4-pyridin-2-ylbenzene-5-id-1-yl]phenyl]-5-[2-[4-(4,5-dimethyl-2-pyridinyl)benzene-5-id-1-yl]phenyl]phenyl]phenyl]benzene-6-id-1-yl]-4,5-dimethylpyridine;tris(iridium(3+)) is Cc1cccc(-c2ccc(-c3cc(-c4cc(C)c(C)cn4)[c-]cc3-c3ccccc3-c3cc(-c4ccccc4-c4c[c-]c(-c5ccccn5)cc4)cc(-c4ccccc4-c4c[c-]c(-c5ccccn5)cc4)c3)cc2)c1.Cc1cnc(-c2[c-]cc(-c3ccccc3-c3cc(-c4ccccc4-c4c[c-]c(-c5cc(C)c(C)cn5)cc4)cc(-c4ccccc4-c4c[c-]c(-c5ccccn5)cc4-c4ccc(-c5ccc6c(c5)oc5ccccc56)cc4)c3)cc2)cc1C.Cc1cnc(-c2[c-]cc(-c3ccccc3-c3cc(-c4ccccc4-c4c[c-]c(-c5ccccn5)cc4)cc(-c4ccccc4-c4c[c-]c(-c5ccccn5)cc4)c3)c(-c3cccc4c3oc3ccccc34)c2)cc1C.[Ir+3].[Ir+3].[Ir+3].

What is the InChIKey of 2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]-3-dibenzofuran-4-ylbenzene-6-id-1-yl]-4,5-dimethylpyridine;2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]-3-[4-(3-methylphenyl)phenyl]benzene-6-id-1-yl]-4,5-dimethylpyridine;2-[4-[2-[3-[2-[2-(4-dibenzofuran-3-ylphenyl)-4-pyridin-2-ylbenzene-5-id-1-yl]phenyl]-5-[2-[4-(4,5-dimethyl-2-pyridinyl)benzene-5-id-1-yl]phenyl]phenyl]phenyl]benzene-6-id-1-yl]-4,5-dimethylpyridine;tris(iridium(3+))?

The InChIKey is IBXDUSNUJAOTNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C79H54N3O.C72H50N3.C71H46N3O.3Ir/c1-50-41-76(81-48-52(50)3)58-32-28-55(29-33-58)65-15-5-7-17-67(65)62-43-63(68-18-8-6-16-66(68)56-30-34-59(35-31-56)77-42-51(2)53(4)49-82-77)45-64(44-62)69-19-9-10-20-70(69)71-38-37-61(75-22-13-14-40-80-75)46-74(71)57-26-24-54(25-27-57)60-36-39-73-72-21-11-12-23-78(72)83-79(73)47-60;1-48-15-14-16-57(41-48)51-25-27-54(28-26-51)69-46-58(72-42-49(2)50(3)47-75-72)37-38-68(69)67-22-9-8-21-66(67)61-44-59(64-19-6-4-17-62(64)52-29-33-55(34-30-52)70-23-10-12-39-73-70)43-60(45-61)65-20-7-5-18-63(65)53-31-35-56(36-32-53)71-24-11-13-40-74-71;1-46-40-69(74-45-47(46)2)52-36-37-62(66(44-52)65-24-15-23-64-63-22-9-10-27-70(63)75-71(64)65)61-21-8-7-20-60(61)55-42-53(58-18-5-3-16-56(58)48-28-32-50(33-29-48)67-25-11-13-38-72-67)41-54(43-55)59-19-6-4-17-57(59)49-30-34-51(35-31-49)68-26-12-14-39-73-68;;;/h5-32,34,36,38-49H,1-4H3;4-33,35,38-47H,1-3H3;3-32,34,37-45H,1-2H3;;;/q3*-3;3*+3.

What are the key properties of 2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]-3-dibenzofuran-4-ylbenzene-6-id-1-yl]-4,5-dimethylpyridine;2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]-3-[4-(3-methylphenyl)phenyl]benzene-6-id-1-yl]-4,5-dimethylpyridine;2-[4-[2-[3-[2-[2-(4-dibenzofuran-3-ylphenyl)-4-pyridin-2-ylbenzene-5-id-1-yl]phenyl]-5-[2-[4-(4,5-dimethyl-2-pyridinyl)benzene-5-id-1-yl]phenyl]phenyl]phenyl]benzene-6-id-1-yl]-4,5-dimethylpyridine;tris(iridium(3+))?

2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]-3-dibenzofuran-4-ylbenzene-6-id-1-yl]-4,5-dimethylpyridine;2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]-3-[4-(3-methylphenyl)phenyl]benzene-6-id-1-yl]-4,5-dimethylpyridine;2-[4-[2-[3-[2-[2-(4-dibenzofuran-3-ylphenyl)-4-pyridin-2-ylbenzene-5-id-1-yl]phenyl]-5-[2-[4-(4,5-dimethyl-2-pyridinyl)benzene-5-id-1-yl]phenyl]phenyl]phenyl]benzene-6-id-1-yl]-4,5-dimethylpyridine;tris(iridium(3+)) has a molecular weight of 3552.35 g/mol, XLogP of 57.73, 32 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]-3-dibenzofuran-4-ylbenzene-6-id-1-yl]-4,5-dimethylpyridine;2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]-3-[4-(3-methylphenyl)phenyl]benzene-6-id-1-yl]-4,5-dimethylpyridine;2-[4-[2-[3-[2-[2-(4-dibenzofuran-3-ylphenyl)-4-pyridin-2-ylbenzene-5-id-1-yl]phenyl]-5-[2-[4-(4,5-dimethyl-2-pyridinyl)benzene-5-id-1-yl]phenyl]phenyl]phenyl]benzene-6-id-1-yl]-4,5-dimethylpyridine;tris(iridium(3+)) is sourced from PubChem (CID 158008151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).