2-(3H-dibenzofuran-3-id-4-yl)-5-[6-[2-[4-[6-[6-(3H-dibenzofuran-3-id-4-yl)-3-pyridinyl]hexyl]benzene-6-id-1-yl]-4-pyridinyl]hexyl]pyridine;tris(iridium(3+));2-methyl-8-[5-[6-[4-[4-[6-(6-phenyl-3-pyridinyl)hexyl]-2-pyridinyl]benzene-5-id-1-yl]hexyl]-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-phenyl-5-[6-[2-[4-[6-(6-phenyl-3-pyridinyl)hexyl]benzene-6-id-1-yl]-4-pyridinyl]hexyl]pyridine

C153H139Ir3N10O3 — CID 158287676

IUPAC2-(3H-dibenzofuran-3-id-4-yl)-5-[6-[2-[4-[6-[6-(3H-dibenzofuran-3-id-4-yl)-3-pyridinyl]hexyl]benzene-6-id-1-yl]-4-pyridinyl]hexyl]pyridine;tris(iridium(3+));2-methyl-8-[5-[6-[4-[4-[6-(6-phenyl-3-pyridinyl)hexyl]-2-pyridinyl]benzene-5-id-1-yl]hexyl]-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-phenyl-5-[6-[2-[4-[6-(6-phenyl-3-pyridinyl)hexyl]benzene-6-id-1-yl]-4-pyridinyl]hexyl]pyridine
SMILESCc1ccc2c(n1)oc1c(-c3ccc(CCCCCCc4c[c-]c(-c5cc(CCCCCCc6ccc(-c7[c-]cccc7)nc6)ccn5)cc4)cn3)[c-]ccc12.[Ir+3].[Ir+3].[Ir+3].[c-]1cc(CCCCCCc2ccc(-c3[c-]ccc4c3oc3ccccc34)nc2)ccc1-c1cc(CCCCCCc2ccc(-c3[c-]ccc4c3oc3ccccc34)nc2)ccn1.[c-]1ccccc1-c1ccc(CCCCCCc2c[c-]c(-c3cc(CCCCCCc4ccc(-c5[c-]cccc5)nc4)ccn3)cc2)cn1
InChIInChI=1S/C57H48N3O2.C51H47N4O.C45H44N3.3Ir/c1(3-7-17-42-29-33-51(59-38-42)49-23-13-21-47-45-19-9-11-25-54(45)61-56(47)49)5-15-40-27-31-44(32-28-40)53-37-41(35-36-58-53)16-6-2-4-8-18-43-30-34-52(60-39-43)50-24-14-22-48-46-20-10-12-26-55(46)62-57(48)50;1-37-22-29-45-44-20-13-21-46(50(44)56-51(45)55-37)48-31-26-41(36-54-48)17-9-4-2-7-14-38-23-27-43(28-24-38)49-34-39(32-33-52-49)15-8-3-5-10-16-40-25-30-47(53-35-40)42-18-11-6-12-19-42;1(3-9-17-38-25-29-43(47-34-38)40-19-11-5-12-20-40)7-15-36-23-27-42(28-24-36)45-33-37(31-32-46-45)16-8-2-4-10-18-39-26-30-44(48-35-39)41-21-13-6-14-22-41;;;/h9-14,19-22,25-31,33-39H,1-8,15-18H2;6,11-13,18,20,22-27,29-36H,2-5,7-10,14-17H2,1H3;5-6,11-14,19,21,23-27,29-35H,1-4,7-10,15-18H2;;;/q3*-3;3*+3
InChIKeyQYYORHIRGKSRRN-UHFFFAOYSA-N
MW2742.51 g/mol
LogP38.29
Rot. Bonds51

About 2-(3H-dibenzofuran-3-id-4-yl)-5-[6-[2-[4-[6-[6-(3H-dibenzofuran-3-id-4-yl)-3-pyridinyl]hexyl]benzene-6-id-1-yl]-4-pyridinyl]hexyl]pyridine;tris(iridium(3+));2-methyl-8-[5-[6-[4-[4-[6-(6-phenyl-3-pyridinyl)hexyl]-2-pyridinyl]benzene-5-id-1-yl]hexyl]-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-phenyl-5-[6-[2-[4-[6-(6-phenyl-3-pyridinyl)hexyl]benzene-6-id-1-yl]-4-pyridinyl]hexyl]pyridine

2-(3H-dibenzofuran-3-id-4-yl)-5-[6-[2-[4-[6-[6-(3H-dibenzofuran-3-id-4-yl)-3-pyridinyl]hexyl]benzene-6-id-1-yl]-4-pyridinyl]hexyl]pyridine;tris(iridium(3+));2-methyl-8-[5-[6-[4-[4-[6-(6-phenyl-3-pyridinyl)hexyl]-2-pyridinyl]benzene-5-id-1-yl]hexyl]-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-phenyl-5-[6-[2-[4-[6-(6-phenyl-3-pyridinyl)hexyl]benzene-6-id-1-yl]-4-pyridinyl]hexyl]pyridine (PubChem CID 158287676) has the molecular formula C153H139Ir3N10O3 and a molecular weight of 2742.51 g/mol. Its IUPAC name is 2-(3H-dibenzofuran-3-id-4-yl)-5-[6-[2-[4-[6-[6-(3H-dibenzofuran-3-id-4-yl)-3-pyridinyl]hexyl]benzene-6-id-1-yl]-4-pyridinyl]hexyl]pyridine;tris(iridium(3+));2-methyl-8-[5-[6-[4-[4-[6-(6-phenyl-3-pyridinyl)hexyl]-2-pyridinyl]benzene-5-id-1-yl]hexyl]-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-phenyl-5-[6-[2-[4-[6-(6-phenyl-3-pyridinyl)hexyl]benzene-6-id-1-yl]-4-pyridinyl]hexyl]pyridine.

Molecular Properties

Compound Name2-(3H-dibenzofuran-3-id-4-yl)-5-[6-[2-[4-[6-[6-(3H-dibenzofuran-3-id-4-yl)-3-pyridinyl]hexyl]benzene-6-id-1-yl]-4-pyridinyl]hexyl]pyridine;tris(iridium(3+));2-methyl-8-[5-[6-[4-[4-[6-(6-phenyl-3-pyridinyl)hexyl]-2-pyridinyl]benzene-5-id-1-yl]hexyl]-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-phenyl-5-[6-[2-[4-[6-(6-phenyl-3-pyridinyl)hexyl]benzene-6-id-1-yl]-4-pyridinyl]hexyl]pyridine
PubChem CID158287676
Molecular FormulaC153H139Ir3N10O3
Molecular Weight2742.51 g/mol
Exact Mass2742.99
IUPAC Name2-(3H-dibenzofuran-3-id-4-yl)-5-[6-[2-[4-[6-[6-(3H-dibenzofuran-3-id-4-yl)-3-pyridinyl]hexyl]benzene-6-id-1-yl]-4-pyridinyl]hexyl]pyridine;tris(iridium(3+));2-methyl-8-[5-[6-[4-[4-[6-(6-phenyl-3-pyridinyl)hexyl]-2-pyridinyl]benzene-5-id-1-yl]hexyl]-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-phenyl-5-[6-[2-[4-[6-(6-phenyl-3-pyridinyl)hexyl]benzene-6-id-1-yl]-4-pyridinyl]hexyl]pyridine
SMILESCc1ccc2c(n1)oc1c(-c3ccc(CCCCCCc4c[c-]c(-c5cc(CCCCCCc6ccc(-c7[c-]cccc7)nc6)ccn5)cc4)cn3)[c-]ccc12.[Ir+3].[Ir+3].[Ir+3].[c-]1cc(CCCCCCc2ccc(-c3[c-]ccc4c3oc3ccccc34)nc2)ccc1-c1cc(CCCCCCc2ccc(-c3[c-]ccc4c3oc3ccccc34)nc2)ccn1.[c-]1ccccc1-c1ccc(CCCCCCc2c[c-]c(-c3cc(CCCCCCc4ccc(-c5[c-]cccc5)nc4)ccn3)cc2)cn1
InChIInChI=1S/C57H48N3O2.C51H47N4O.C45H44N3.3Ir/c1(3-7-17-42-29-33-51(59-38-42)49-23-13-21-47-45-19-9-11-25-54(45)61-56(47)49)5-15-40-27-31-44(32-28-40)53-37-41(35-36-58-53)16-6-2-4-8-18-43-30-34-52(60-39-43)50-24-14-22-48-46-20-10-12-26-55(46)62-57(48)50;1-37-22-29-45-44-20-13-21-46(50(44)56-51(45)55-37)48-31-26-41(36-54-48)17-9-4-2-7-14-38-23-27-43(28-24-38)49-34-39(32-33-52-49)15-8-3-5-10-16-40-25-30-47(53-35-40)42-18-11-6-12-19-42;1(3-9-17-38-25-29-43(47-34-38)40-19-11-5-12-20-40)7-15-36-23-27-42(28-24-36)45-33-37(31-32-46-45)16-8-2-4-10-18-39-26-30-44(48-35-39)41-21-13-6-14-22-41;;;/h9-14,19-22,25-31,33-39H,1-8,15-18H2;6,11-13,18,20,22-27,29-36H,2-5,7-10,14-17H2,1H3;5-6,11-14,19,21,23-27,29-35H,1-4,7-10,15-18H2;;;/q3*-3;3*+3
InChIKeyQYYORHIRGKSRRN-UHFFFAOYSA-N
XLogP38.29
TPSA168.32 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds51
Heavy Atoms169
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002742.51
LogP ≤ 538.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze 2-(3H-dibenzofuran-3-id-4-yl)-5-[6-[2-[4-[6-[6-(3H-dibenzofuran-3-id-4-yl)-3-pyridinyl]hexyl]benzene-6-id-1-yl]-4-pyridinyl]hexyl]pyridine;tris(iridium(3+));2-methyl-8-[5-[6-[4-[4-[6-(6-phenyl-3-pyridinyl)hexyl]-2-pyridinyl]benzene-5-id-1-yl]hexyl]-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-phenyl-5-[6-[2-[4-[6-(6-phenyl-3-pyridinyl)hexyl]benzene-6-id-1-yl]-4-pyridinyl]hexyl]pyridine with MolForge

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Launch Full Analysis

Related Compounds

2-(3H-dibenzofuran-3-id-4-yl)-5-[6-[6-(3H-dibenzofuran-3-id-4-yl)-3-pyridinyl]hexyl]pyridine;1-[2,6-di(propan-2-yl)phenyl]-4-[4-[1-[2,6-di(propan-2-yl)phenyl]-2-phenylbenzimidazol-4-yl]butyl]-2-phenylbenzimidazole;tris(iridium(3+));2-methyl-8-[5-[6-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-8-yl)-3-pyridinyl]hexyl]-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-(3-phenylbenzene-6-id-1-yl)pyridine;bis(2-phenylpyridine)
CID 159845016
[6-(3H-dibenzofuran-3-id-4-yl)-4-methyl-3-pyridinyl]-trimethylsilane;[6-(2H-dibenzothiophen-2-id-3-yl)-4-methyl-3-pyridinyl]-trimethylsilane;tris(iridium);trimethyl-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-8-yl)-3-pyridinyl]silane;trimethyl-(2-phenyl-4-pyridinyl)silane;bis(trimethyl-(6-phenyl-3-pyridinyl)silane)
CID 158251644
iridium(3+);bis(2-phenyl-5-(trideuteriomethyl)pyridine);8-pyridin-2-yl-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide
CID 170655079
2-(3H-dibenzofuran-3-id-4-yl)pyridine;iridium(3+);bis(2-methyl-6-phenylpyridine)
CID 59500229
(4-benzyl-6-phenyl-3-pyridinyl)-trimethylgermane;8-[4-(2,2-dimethylpropyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium
CID 162709502
2-(3H-dibenzofuran-3-id-4-yl)pyridine;iridium;5-methyl-2-phenylpyridine
CID 140775803
iridium;2-methyl-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
CID 155610911
4-benzyl-2-(3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 162708620
8-[4-(2,2-dimethylpropyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(2,6-dimethyl-4-pyridinyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium
CID 155611241
tetrakis(2-(3H-dibenzofuran-3-id-4-yl)pyridine);tetrakis(iridium);4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine;4-methyl-5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;2-phenyl-5-(trideuteriomethyl)pyridine;5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine
CID 160684487
8-(2,3-dimethylthieno[2,3-c]pyridin-5-yl)-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;2-phenylpyridine
CID 168828132
2-(2H-dibenzofuran-2-id-3-yl)-5-methylpyridine;2-(3H-dibenzofuran-3-id-2-yl)-4-methylpyridine;2-(3H-dibenzofuran-3-id-2-yl)-5-methylpyridine;2-(3H-dibenzofuran-3-id-4-yl)-5-methylpyridine;tetrakis(iridium);tetrakis(4-methyl-5-phenyl-2-phenylpyridine)
CID 162181234

Frequently Asked Questions

What is the IUPAC name of 2-(3H-dibenzofuran-3-id-4-yl)-5-[6-[2-[4-[6-[6-(3H-dibenzofuran-3-id-4-yl)-3-pyridinyl]hexyl]benzene-6-id-1-yl]-4-pyridinyl]hexyl]pyridine;tris(iridium(3+));2-methyl-8-[5-[6-[4-[4-[6-(6-phenyl-3-pyridinyl)hexyl]-2-pyridinyl]benzene-5-id-1-yl]hexyl]-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-phenyl-5-[6-[2-[4-[6-(6-phenyl-3-pyridinyl)hexyl]benzene-6-id-1-yl]-4-pyridinyl]hexyl]pyridine?
The IUPAC name of 2-(3H-dibenzofuran-3-id-4-yl)-5-[6-[2-[4-[6-[6-(3H-dibenzofuran-3-id-4-yl)-3-pyridinyl]hexyl]benzene-6-id-1-yl]-4-pyridinyl]hexyl]pyridine;tris(iridium(3+));2-methyl-8-[5-[6-[4-[4-[6-(6-phenyl-3-pyridinyl)hexyl]-2-pyridinyl]benzene-5-id-1-yl]hexyl]-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-phenyl-5-[6-[2-[4-[6-(6-phenyl-3-pyridinyl)hexyl]benzene-6-id-1-yl]-4-pyridinyl]hexyl]pyridine (CID 158287676) is 2-(3H-dibenzofuran-3-id-4-yl)-5-[6-[2-[4-[6-[6-(3H-dibenzofuran-3-id-4-yl)-3-pyridinyl]hexyl]benzene-6-id-1-yl]-4-pyridinyl]hexyl]pyridine;tris(iridium(3+));2-methyl-8-[5-[6-[4-[4-[6-(6-phenyl-3-pyridinyl)hexyl]-2-pyridinyl]benzene-5-id-1-yl]hexyl]-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-phenyl-5-[6-[2-[4-[6-(6-phenyl-3-pyridinyl)hexyl]benzene-6-id-1-yl]-4-pyridinyl]hexyl]pyridine.
What is the SMILES notation for 2-(3H-dibenzofuran-3-id-4-yl)-5-[6-[2-[4-[6-[6-(3H-dibenzofuran-3-id-4-yl)-3-pyridinyl]hexyl]benzene-6-id-1-yl]-4-pyridinyl]hexyl]pyridine;tris(iridium(3+));2-methyl-8-[5-[6-[4-[4-[6-(6-phenyl-3-pyridinyl)hexyl]-2-pyridinyl]benzene-5-id-1-yl]hexyl]-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-phenyl-5-[6-[2-[4-[6-(6-phenyl-3-pyridinyl)hexyl]benzene-6-id-1-yl]-4-pyridinyl]hexyl]pyridine?
The canonical SMILES for 2-(3H-dibenzofuran-3-id-4-yl)-5-[6-[2-[4-[6-[6-(3H-dibenzofuran-3-id-4-yl)-3-pyridinyl]hexyl]benzene-6-id-1-yl]-4-pyridinyl]hexyl]pyridine;tris(iridium(3+));2-methyl-8-[5-[6-[4-[4-[6-(6-phenyl-3-pyridinyl)hexyl]-2-pyridinyl]benzene-5-id-1-yl]hexyl]-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-phenyl-5-[6-[2-[4-[6-(6-phenyl-3-pyridinyl)hexyl]benzene-6-id-1-yl]-4-pyridinyl]hexyl]pyridine is Cc1ccc2c(n1)oc1c(-c3ccc(CCCCCCc4c[c-]c(-c5cc(CCCCCCc6ccc(-c7[c-]cccc7)nc6)ccn5)cc4)cn3)[c-]ccc12.[Ir+3].[Ir+3].[Ir+3].[c-]1cc(CCCCCCc2ccc(-c3[c-]ccc4c3oc3ccccc34)nc2)ccc1-c1cc(CCCCCCc2ccc(-c3[c-]ccc4c3oc3ccccc34)nc2)ccn1.[c-]1ccccc1-c1ccc(CCCCCCc2c[c-]c(-c3cc(CCCCCCc4ccc(-c5[c-]cccc5)nc4)ccn3)cc2)cn1.
What is the InChIKey of 2-(3H-dibenzofuran-3-id-4-yl)-5-[6-[2-[4-[6-[6-(3H-dibenzofuran-3-id-4-yl)-3-pyridinyl]hexyl]benzene-6-id-1-yl]-4-pyridinyl]hexyl]pyridine;tris(iridium(3+));2-methyl-8-[5-[6-[4-[4-[6-(6-phenyl-3-pyridinyl)hexyl]-2-pyridinyl]benzene-5-id-1-yl]hexyl]-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-phenyl-5-[6-[2-[4-[6-(6-phenyl-3-pyridinyl)hexyl]benzene-6-id-1-yl]-4-pyridinyl]hexyl]pyridine?
The InChIKey is QYYORHIRGKSRRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H48N3O2.C51H47N4O.C45H44N3.3Ir/c1(3-7-17-42-29-33-51(59-38-42)49-23-13-21-47-45-19-9-11-25-54(45)61-56(47)49)5-15-40-27-31-44(32-28-40)53-37-41(35-36-58-53)16-6-2-4-8-18-43-30-34-52(60-39-43)50-24-14-22-48-46-20-10-12-26-55(46)62-57(48)50;1-37-22-29-45-44-20-13-21-46(50(44)56-51(45)55-37)48-31-26-41(36-54-48)17-9-4-2-7-14-38-23-27-43(28-24-38)49-34-39(32-33-52-49)15-8-3-5-10-16-40-25-30-47(53-35-40)42-18-11-6-12-19-42;1(3-9-17-38-25-29-43(47-34-38)40-19-11-5-12-20-40)7-15-36-23-27-42(28-24-36)45-33-37(31-32-46-45)16-8-2-4-10-18-39-26-30-44(48-35-39)41-21-13-6-14-22-41;;;/h9-14,19-22,25-31,33-39H,1-8,15-18H2;6,11-13,18,20,22-27,29-36H,2-5,7-10,14-17H2,1H3;5-6,11-14,19,21,23-27,29-35H,1-4,7-10,15-18H2;;;/q3*-3;3*+3.
What are the key properties of 2-(3H-dibenzofuran-3-id-4-yl)-5-[6-[2-[4-[6-[6-(3H-dibenzofuran-3-id-4-yl)-3-pyridinyl]hexyl]benzene-6-id-1-yl]-4-pyridinyl]hexyl]pyridine;tris(iridium(3+));2-methyl-8-[5-[6-[4-[4-[6-(6-phenyl-3-pyridinyl)hexyl]-2-pyridinyl]benzene-5-id-1-yl]hexyl]-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-phenyl-5-[6-[2-[4-[6-(6-phenyl-3-pyridinyl)hexyl]benzene-6-id-1-yl]-4-pyridinyl]hexyl]pyridine?
2-(3H-dibenzofuran-3-id-4-yl)-5-[6-[2-[4-[6-[6-(3H-dibenzofuran-3-id-4-yl)-3-pyridinyl]hexyl]benzene-6-id-1-yl]-4-pyridinyl]hexyl]pyridine;tris(iridium(3+));2-methyl-8-[5-[6-[4-[4-[6-(6-phenyl-3-pyridinyl)hexyl]-2-pyridinyl]benzene-5-id-1-yl]hexyl]-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-phenyl-5-[6-[2-[4-[6-(6-phenyl-3-pyridinyl)hexyl]benzene-6-id-1-yl]-4-pyridinyl]hexyl]pyridine has a molecular weight of 2742.51 g/mol, XLogP of 38.29, 51 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3H-dibenzofuran-3-id-4-yl)-5-[6-[2-[4-[6-[6-(3H-dibenzofuran-3-id-4-yl)-3-pyridinyl]hexyl]benzene-6-id-1-yl]-4-pyridinyl]hexyl]pyridine;tris(iridium(3+));2-methyl-8-[5-[6-[4-[4-[6-(6-phenyl-3-pyridinyl)hexyl]-2-pyridinyl]benzene-5-id-1-yl]hexyl]-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-phenyl-5-[6-[2-[4-[6-(6-phenyl-3-pyridinyl)hexyl]benzene-6-id-1-yl]-4-pyridinyl]hexyl]pyridine is sourced from PubChem (CID 158287676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).