5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-(4-dibenzofuran-3-ylphenyl)-2-phenylpyridine;5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-dibenzofuran-3-yl-2-phenylpyridine;5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-2-phenyl-4-[3-(4-phenylphenyl)phenyl]pyridine;tris(iridium(3+))

C219H136Ir3N9O2 — CID 159641565

IUPAC5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-(4-dibenzofuran-3-ylphenyl)-2-phenylpyridine;5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-dibenzofuran-3-yl-2-phenylpyridine;5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-2-phenyl-4-[3-(4-phenylphenyl)phenyl]pyridine;tris(iridium(3+))
SMILES[Ir+3].[Ir+3].[Ir+3].[c-]1ccccc1-c1ccc(-c2ccccc2-c2cc(-c3ccccc3-c3ccc(-c4[c-]cccc4)nc3)cc(-c3ccccc3-c3cnc(-c4[c-]cccc4)cc3-c3ccc(-c4ccc5c(c4)oc4ccccc45)cc3)c2)cn1.[c-]1ccccc1-c1ccc(-c2ccccc2-c2cc(-c3ccccc3-c3ccc(-c4[c-]cccc4)nc3)cc(-c3ccccc3-c3cnc(-c4[c-]cccc4)cc3-c3ccc4c(c3)oc3ccccc34)c2)cn1.[c-]1ccccc1-c1ccc(-c2ccccc2-c2cc(-c3ccccc3-c3ccc(-c4[c-]cccc4)nc3)cc(-c3ccccc3-c3cnc(-c4[c-]cccc4)cc3-c3cccc(-c4ccc(-c5ccccc5)cc4)c3)c2)cn1
InChIInChI=1S/C75H46N3O.C75H48N3.C69H42N3O.3Ir/c1-4-18-52(19-5-1)71-40-37-56(47-76-71)61-24-10-12-26-63(61)58-42-59(64-27-13-11-25-62(64)57-38-41-72(77-48-57)53-20-6-2-7-21-53)44-60(43-58)65-28-14-15-29-66(65)70-49-78-73(54-22-8-3-9-23-54)46-69(70)51-34-32-50(33-35-51)55-36-39-68-67-30-16-17-31-74(67)79-75(68)45-55;1-5-20-52(21-6-1)53-36-38-54(39-37-53)58-28-19-29-59(44-58)71-48-75(57-26-11-4-12-27-57)78-51-72(71)70-35-18-17-34-69(70)64-46-62(67-32-15-13-30-65(67)60-40-42-73(76-49-60)55-22-7-2-8-23-55)45-63(47-64)68-33-16-14-31-66(68)61-41-43-74(77-50-61)56-24-9-3-10-25-56;1-4-18-46(19-5-1)65-36-33-50(43-70-65)55-24-10-12-26-57(55)52-38-53(58-27-13-11-25-56(58)51-34-37-66(71-44-51)47-20-6-2-7-21-47)40-54(39-52)59-28-14-15-29-60(59)64-45-72-67(48-22-8-3-9-23-48)42-63(64)49-32-35-62-61-30-16-17-31-68(61)73-69(62)41-49;;;/h1-18,20,22,24-49H;1-22,24,26,28-51H;1-18,20,22,24-45H;;;/q3*-3;3*+3
InChIKeyWIPGYTFYKDILTJ-UHFFFAOYSA-N
MW3502.21 g/mol
LogP56.62
Rot. Bonds33

About 5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-(4-dibenzofuran-3-ylphenyl)-2-phenylpyridine;5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-dibenzofuran-3-yl-2-phenylpyridine;5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-2-phenyl-4-[3-(4-phenylphenyl)phenyl]pyridine;tris(iridium(3+))

5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-(4-dibenzofuran-3-ylphenyl)-2-phenylpyridine;5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-dibenzofuran-3-yl-2-phenylpyridine;5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-2-phenyl-4-[3-(4-phenylphenyl)phenyl]pyridine;tris(iridium(3+)) (PubChem CID 159641565) has the molecular formula C219H136Ir3N9O2 and a molecular weight of 3502.21 g/mol. Its IUPAC name is 5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-(4-dibenzofuran-3-ylphenyl)-2-phenylpyridine;5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-dibenzofuran-3-yl-2-phenylpyridine;5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-2-phenyl-4-[3-(4-phenylphenyl)phenyl]pyridine;tris(iridium(3+)).

Molecular Properties

Compound Name5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-(4-dibenzofuran-3-ylphenyl)-2-phenylpyridine;5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-dibenzofuran-3-yl-2-phenylpyridine;5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-2-phenyl-4-[3-(4-phenylphenyl)phenyl]pyridine;tris(iridium(3+))
PubChem CID159641565
Molecular FormulaC219H136Ir3N9O2
Molecular Weight3502.21 g/mol
Exact Mass3501.97
IUPAC Name5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-(4-dibenzofuran-3-ylphenyl)-2-phenylpyridine;5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-dibenzofuran-3-yl-2-phenylpyridine;5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-2-phenyl-4-[3-(4-phenylphenyl)phenyl]pyridine;tris(iridium(3+))
SMILES[Ir+3].[Ir+3].[Ir+3].[c-]1ccccc1-c1ccc(-c2ccccc2-c2cc(-c3ccccc3-c3ccc(-c4[c-]cccc4)nc3)cc(-c3ccccc3-c3cnc(-c4[c-]cccc4)cc3-c3ccc(-c4ccc5c(c4)oc4ccccc45)cc3)c2)cn1.[c-]1ccccc1-c1ccc(-c2ccccc2-c2cc(-c3ccccc3-c3ccc(-c4[c-]cccc4)nc3)cc(-c3ccccc3-c3cnc(-c4[c-]cccc4)cc3-c3ccc4c(c3)oc3ccccc34)c2)cn1.[c-]1ccccc1-c1ccc(-c2ccccc2-c2cc(-c3ccccc3-c3ccc(-c4[c-]cccc4)nc3)cc(-c3ccccc3-c3cnc(-c4[c-]cccc4)cc3-c3cccc(-c4ccc(-c5ccccc5)cc4)c3)c2)cn1
InChIInChI=1S/C75H46N3O.C75H48N3.C69H42N3O.3Ir/c1-4-18-52(19-5-1)71-40-37-56(47-76-71)61-24-10-12-26-63(61)58-42-59(64-27-13-11-25-62(64)57-38-41-72(77-48-57)53-20-6-2-7-21-53)44-60(43-58)65-28-14-15-29-66(65)70-49-78-73(54-22-8-3-9-23-54)46-69(70)51-34-32-50(33-35-51)55-36-39-68-67-30-16-17-31-74(67)79-75(68)45-55;1-5-20-52(21-6-1)53-36-38-54(39-37-53)58-28-19-29-59(44-58)71-48-75(57-26-11-4-12-27-57)78-51-72(71)70-35-18-17-34-69(70)64-46-62(67-32-15-13-30-65(67)60-40-42-73(76-49-60)55-22-7-2-8-23-55)45-63(47-64)68-33-16-14-31-66(68)61-41-43-74(77-50-61)56-24-9-3-10-25-56;1-4-18-46(19-5-1)65-36-33-50(43-70-65)55-24-10-12-26-57(55)52-38-53(58-27-13-11-25-56(58)51-34-37-66(71-44-51)47-20-6-2-7-21-47)40-54(39-52)59-28-14-15-29-60(59)64-45-72-67(48-22-8-3-9-23-48)42-63(64)49-32-35-62-61-30-16-17-31-68(61)73-69(62)41-49;;;/h1-18,20,22,24-49H;1-22,24,26,28-51H;1-18,20,22,24-45H;;;/q3*-3;3*+3
InChIKeyWIPGYTFYKDILTJ-UHFFFAOYSA-N
XLogP56.62
TPSA142.29 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds33
Heavy Atoms233
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003502.21
LogP ≤ 556.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze 5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-(4-dibenzofuran-3-ylphenyl)-2-phenylpyridine;5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-dibenzofuran-3-yl-2-phenylpyridine;5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-2-phenyl-4-[3-(4-phenylphenyl)phenyl]pyridine;tris(iridium(3+)) with MolForge

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Related Compounds

5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-2-phenyl-4-[3-(4-phenylphenyl)phenyl]pyridine;iridium(3+)
CID 153458738
iridium(3+);2-phenyl-5-[2-[3-[4-[6-[3-(4-phenylphenyl)benzene-6-id-1-yl]-3-pyridinyl]dibenzofuran-3-yl]-5-[2-[6-phenyl-4-(trideuteriomethyl)-3-pyridinyl]phenyl]phenyl]phenyl]-4-(trideuteriomethyl)pyridine
CID 153457902
5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-methyl-2-[3-(3-phenylphenyl)benzene-6-id-1-yl]pyridine;iridium(3+)
CID 153457886
5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-2-phenylpyridine;iridium(3+)
CID 140838450
3-[5-[2-[3-[2-(4-dibenzofuran-3-yl-6-phenyl-3-pyridinyl)phenyl]-5-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-3-pyridinyl]ethyl]phenyl]ethyl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;iridium(3+)
CID 165148509
5-[2-[3,5-bis[2-(1-phenylpyrazol-4-yl)phenyl]phenyl]phenyl]-2-(3-dibenzofuran-3-ylphenyl)pyridine
CID 153458193
5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)ethyl]phenyl]-4-fluorophenyl]-2-(3H-dibenzofuran-3-id-4-yl)-4-(4-phenylphenyl)pyridine;iridium(3+)
CID 176729019
iridium(3+);2-phenyl-5-[3-[3-[2-[2-[3-[2-[3-(7-pyridin-2-yl-8H-dibenzofuran-8-id-2-yl)phenyl]phenyl]benzene-6-id-1-yl]-4-pyridinyl]phenyl]phenyl]phenyl]pyridine
CID 162697644
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
benzoic acid;5-[2-[3,5-bis(2-pyridin-3-ylphenyl)phenyl]phenyl]-2-phenyl-4-(4-phenylphenyl)pyridine;iridium
CID 167362970
5-[5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-(4-phenylphenyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
CID 153458130
2-(3H-dibenzofuran-3-id-2-yl)pyridine;iridium;4-methyl-5-phenyl-2-phenylpyridine
CID 59500159

Frequently Asked Questions

What is the IUPAC name of 5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-(4-dibenzofuran-3-ylphenyl)-2-phenylpyridine;5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-dibenzofuran-3-yl-2-phenylpyridine;5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-2-phenyl-4-[3-(4-phenylphenyl)phenyl]pyridine;tris(iridium(3+))?
The IUPAC name of 5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-(4-dibenzofuran-3-ylphenyl)-2-phenylpyridine;5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-dibenzofuran-3-yl-2-phenylpyridine;5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-2-phenyl-4-[3-(4-phenylphenyl)phenyl]pyridine;tris(iridium(3+)) (CID 159641565) is 5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-(4-dibenzofuran-3-ylphenyl)-2-phenylpyridine;5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-dibenzofuran-3-yl-2-phenylpyridine;5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-2-phenyl-4-[3-(4-phenylphenyl)phenyl]pyridine;tris(iridium(3+)).
What is the SMILES notation for 5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-(4-dibenzofuran-3-ylphenyl)-2-phenylpyridine;5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-dibenzofuran-3-yl-2-phenylpyridine;5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-2-phenyl-4-[3-(4-phenylphenyl)phenyl]pyridine;tris(iridium(3+))?
The canonical SMILES for 5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-(4-dibenzofuran-3-ylphenyl)-2-phenylpyridine;5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-dibenzofuran-3-yl-2-phenylpyridine;5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-2-phenyl-4-[3-(4-phenylphenyl)phenyl]pyridine;tris(iridium(3+)) is [Ir+3].[Ir+3].[Ir+3].[c-]1ccccc1-c1ccc(-c2ccccc2-c2cc(-c3ccccc3-c3ccc(-c4[c-]cccc4)nc3)cc(-c3ccccc3-c3cnc(-c4[c-]cccc4)cc3-c3ccc(-c4ccc5c(c4)oc4ccccc45)cc3)c2)cn1.[c-]1ccccc1-c1ccc(-c2ccccc2-c2cc(-c3ccccc3-c3ccc(-c4[c-]cccc4)nc3)cc(-c3ccccc3-c3cnc(-c4[c-]cccc4)cc3-c3ccc4c(c3)oc3ccccc34)c2)cn1.[c-]1ccccc1-c1ccc(-c2ccccc2-c2cc(-c3ccccc3-c3ccc(-c4[c-]cccc4)nc3)cc(-c3ccccc3-c3cnc(-c4[c-]cccc4)cc3-c3cccc(-c4ccc(-c5ccccc5)cc4)c3)c2)cn1.
What is the InChIKey of 5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-(4-dibenzofuran-3-ylphenyl)-2-phenylpyridine;5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-dibenzofuran-3-yl-2-phenylpyridine;5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-2-phenyl-4-[3-(4-phenylphenyl)phenyl]pyridine;tris(iridium(3+))?
The InChIKey is WIPGYTFYKDILTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H46N3O.C75H48N3.C69H42N3O.3Ir/c1-4-18-52(19-5-1)71-40-37-56(47-76-71)61-24-10-12-26-63(61)58-42-59(64-27-13-11-25-62(64)57-38-41-72(77-48-57)53-20-6-2-7-21-53)44-60(43-58)65-28-14-15-29-66(65)70-49-78-73(54-22-8-3-9-23-54)46-69(70)51-34-32-50(33-35-51)55-36-39-68-67-30-16-17-31-74(67)79-75(68)45-55;1-5-20-52(21-6-1)53-36-38-54(39-37-53)58-28-19-29-59(44-58)71-48-75(57-26-11-4-12-27-57)78-51-72(71)70-35-18-17-34-69(70)64-46-62(67-32-15-13-30-65(67)60-40-42-73(76-49-60)55-22-7-2-8-23-55)45-63(47-64)68-33-16-14-31-66(68)61-41-43-74(77-50-61)56-24-9-3-10-25-56;1-4-18-46(19-5-1)65-36-33-50(43-70-65)55-24-10-12-26-57(55)52-38-53(58-27-13-11-25-56(58)51-34-37-66(71-44-51)47-20-6-2-7-21-47)40-54(39-52)59-28-14-15-29-60(59)64-45-72-67(48-22-8-3-9-23-48)42-63(64)49-32-35-62-61-30-16-17-31-68(61)73-69(62)41-49;;;/h1-18,20,22,24-49H;1-22,24,26,28-51H;1-18,20,22,24-45H;;;/q3*-3;3*+3.
What are the key properties of 5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-(4-dibenzofuran-3-ylphenyl)-2-phenylpyridine;5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-dibenzofuran-3-yl-2-phenylpyridine;5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-2-phenyl-4-[3-(4-phenylphenyl)phenyl]pyridine;tris(iridium(3+))?
5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-(4-dibenzofuran-3-ylphenyl)-2-phenylpyridine;5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-dibenzofuran-3-yl-2-phenylpyridine;5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-2-phenyl-4-[3-(4-phenylphenyl)phenyl]pyridine;tris(iridium(3+)) has a molecular weight of 3502.21 g/mol, XLogP of 56.62, 33 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-(4-dibenzofuran-3-ylphenyl)-2-phenylpyridine;5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-dibenzofuran-3-yl-2-phenylpyridine;5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-2-phenyl-4-[3-(4-phenylphenyl)phenyl]pyridine;tris(iridium(3+)) is sourced from PubChem (CID 159641565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).