tetrakis(iridium);2-phenyl-4,5-bis(trideuteriomethyl)pyridine;bis(2-phenylpyridine);2-phenyl-5-(trideuteriomethyl)pyridine;2-pyridin-2-yl-3H-[1]benzofuro[2,3-b]pyridin-3-ide;3-pyridin-2-yl-2H-[1]benzofuro[3,2-b]pyridin-2-ide;7-pyridin-2-yl-6H-[1]benzofuro[2,3-b]pyridin-6-ide;7-pyridin-2-yl-8H-[1]benzofuro[3,2-b]pyridin-8-ide

C111H74Ir4N12O4-8 — CID 161006018

IUPACtetrakis(iridium);2-phenyl-4,5-bis(trideuteriomethyl)pyridine;bis(2-phenylpyridine);2-phenyl-5-(trideuteriomethyl)pyridine;2-pyridin-2-yl-3H-[1]benzofuro[2,3-b]pyridin-3-ide;3-pyridin-2-yl-2H-[1]benzofuro[3,2-b]pyridin-2-ide;7-pyridin-2-yl-6H-[1]benzofuro[2,3-b]pyridin-6-ide;7-pyridin-2-yl-8H-[1]benzofuro[3,2-b]pyridin-8-ide
SMILES[2H]C([2H])([2H])c1ccc(-c2[c-]cccc2)nc1.[2H]C([2H])([2H])c1cnc(-c2[c-]cccc2)cc1C([2H])([2H])[2H].[Ir].[Ir].[Ir].[Ir].[c-]1cc2c(cc1-c1ccccn1)oc1cccnc12.[c-]1cc2c(cc1-c1ccccn1)oc1ncccc12.[c-]1cc2c(nc1-c1ccccn1)oc1ccccc12.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1nc2c(cc1-c1ccccn1)oc1ccccc12
InChIInChI=1S/4C16H9N2O.C13H12N.C12H10N.2C11H8N.4Ir/c1-2-8-17-14(5-1)11-6-7-12-13-4-3-9-18-16(13)19-15(12)10-11;1-2-7-15-11(5-1)12-8-9-14(18-16(12)19-15)13-6-3-4-10-17-13;1-2-7-14-12(5-1)16-15(19-14)9-11(10-18-16)13-6-3-4-8-17-13;1-2-8-17-13(4-1)11-6-7-12-15(10-11)19-14-5-3-9-18-16(12)14;1-10-8-13(14-9-11(10)2)12-6-4-3-5-7-12;1-10-7-8-12(13-9-10)11-5-3-2-4-6-11;2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;/h1-5,7-10H;1-8,10H;1-9H;1-5,7-10H;3-6,8-9H,1-2H3;2-5,7-9H,1H3;2*1-6,8-9H;;;;/q8*-1;;;;/i;;;;1D3,2D3;1D3;;;;;;
InChIKeyMFPROAIMJIOVAG-ZUGZNVHBSA-N
MW2417.82 g/mol
LogP26.48
Rot. Bonds11

About tetrakis(iridium);2-phenyl-4,5-bis(trideuteriomethyl)pyridine;bis(2-phenylpyridine);2-phenyl-5-(trideuteriomethyl)pyridine;2-pyridin-2-yl-3H-[1]benzofuro[2,3-b]pyridin-3-ide;3-pyridin-2-yl-2H-[1]benzofuro[3,2-b]pyridin-2-ide;7-pyridin-2-yl-6H-[1]benzofuro[2,3-b]pyridin-6-ide;7-pyridin-2-yl-8H-[1]benzofuro[3,2-b]pyridin-8-ide

tetrakis(iridium);2-phenyl-4,5-bis(trideuteriomethyl)pyridine;bis(2-phenylpyridine);2-phenyl-5-(trideuteriomethyl)pyridine;2-pyridin-2-yl-3H-[1]benzofuro[2,3-b]pyridin-3-ide;3-pyridin-2-yl-2H-[1]benzofuro[3,2-b]pyridin-2-ide;7-pyridin-2-yl-6H-[1]benzofuro[2,3-b]pyridin-6-ide;7-pyridin-2-yl-8H-[1]benzofuro[3,2-b]pyridin-8-ide (PubChem CID 161006018) has the molecular formula C111H74Ir4N12O4-8 and a molecular weight of 2417.82 g/mol. Its IUPAC name is tetrakis(iridium);2-phenyl-4,5-bis(trideuteriomethyl)pyridine;bis(2-phenylpyridine);2-phenyl-5-(trideuteriomethyl)pyridine;2-pyridin-2-yl-3H-[1]benzofuro[2,3-b]pyridin-3-ide;3-pyridin-2-yl-2H-[1]benzofuro[3,2-b]pyridin-2-ide;7-pyridin-2-yl-6H-[1]benzofuro[2,3-b]pyridin-6-ide;7-pyridin-2-yl-8H-[1]benzofuro[3,2-b]pyridin-8-ide.

Molecular Properties

Compound Nametetrakis(iridium);2-phenyl-4,5-bis(trideuteriomethyl)pyridine;bis(2-phenylpyridine);2-phenyl-5-(trideuteriomethyl)pyridine;2-pyridin-2-yl-3H-[1]benzofuro[2,3-b]pyridin-3-ide;3-pyridin-2-yl-2H-[1]benzofuro[3,2-b]pyridin-2-ide;7-pyridin-2-yl-6H-[1]benzofuro[2,3-b]pyridin-6-ide;7-pyridin-2-yl-8H-[1]benzofuro[3,2-b]pyridin-8-ide
PubChem CID161006018
Molecular FormulaC111H74Ir4N12O4-8
Molecular Weight2417.82 g/mol
Exact Mass2419.51
IUPAC Nametetrakis(iridium);2-phenyl-4,5-bis(trideuteriomethyl)pyridine;bis(2-phenylpyridine);2-phenyl-5-(trideuteriomethyl)pyridine;2-pyridin-2-yl-3H-[1]benzofuro[2,3-b]pyridin-3-ide;3-pyridin-2-yl-2H-[1]benzofuro[3,2-b]pyridin-2-ide;7-pyridin-2-yl-6H-[1]benzofuro[2,3-b]pyridin-6-ide;7-pyridin-2-yl-8H-[1]benzofuro[3,2-b]pyridin-8-ide
SMILES[2H]C([2H])([2H])c1ccc(-c2[c-]cccc2)nc1.[2H]C([2H])([2H])c1cnc(-c2[c-]cccc2)cc1C([2H])([2H])[2H].[Ir].[Ir].[Ir].[Ir].[c-]1cc2c(cc1-c1ccccn1)oc1cccnc12.[c-]1cc2c(cc1-c1ccccn1)oc1ncccc12.[c-]1cc2c(nc1-c1ccccn1)oc1ccccc12.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1nc2c(cc1-c1ccccn1)oc1ccccc12
InChIInChI=1S/4C16H9N2O.C13H12N.C12H10N.2C11H8N.4Ir/c1-2-8-17-14(5-1)11-6-7-12-13-4-3-9-18-16(13)19-15(12)10-11;1-2-7-15-11(5-1)12-8-9-14(18-16(12)19-15)13-6-3-4-10-17-13;1-2-7-14-12(5-1)16-15(19-14)9-11(10-18-16)13-6-3-4-8-17-13;1-2-8-17-13(4-1)11-6-7-12-15(10-11)19-14-5-3-9-18-16(12)14;1-10-8-13(14-9-11(10)2)12-6-4-3-5-7-12;1-10-7-8-12(13-9-10)11-5-3-2-4-6-11;2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;/h1-5,7-10H;1-8,10H;1-9H;1-5,7-10H;3-6,8-9H,1-2H3;2-5,7-9H,1H3;2*1-6,8-9H;;;;/q8*-1;;;;/i;;;;1D3,2D3;1D3;;;;;;
InChIKeyMFPROAIMJIOVAG-ZUGZNVHBSA-N
XLogP26.48
TPSA207.24 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds11
Heavy Atoms131
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002417.82
LogP ≤ 526.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze tetrakis(iridium);2-phenyl-4,5-bis(trideuteriomethyl)pyridine;bis(2-phenylpyridine);2-phenyl-5-(trideuteriomethyl)pyridine;2-pyridin-2-yl-3H-[1]benzofuro[2,3-b]pyridin-3-ide;3-pyridin-2-yl-2H-[1]benzofuro[3,2-b]pyridin-2-ide;7-pyridin-2-yl-6H-[1]benzofuro[2,3-b]pyridin-6-ide;7-pyridin-2-yl-8H-[1]benzofuro[3,2-b]pyridin-8-ide with MolForge

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Related Compounds

4,5-dimethyl-2-phenylpyridine;tetrakis(iridium);3-(4-methyl-2-pyridinyl)-2H-[1]benzofuro[2,3-b]pyridin-2-ide;tris(2-phenylpyridine);2-pyridin-2-yl-3H-[1]benzofuro[2,3-b]pyridin-3-ide;3-pyridin-2-yl-2H-[1]benzofuro[3,2-b]pyridin-2-ide;7-pyridin-2-yl-8H-[1]benzofuro[3,2-b]pyridin-8-ide
CID 158336838
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
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
2-(3H-dibenzofuran-3-id-2-yl)pyridine;iridium;4-methyl-5-phenyl-2-phenylpyridine
CID 59500159
iridium;4-methyl-2-phenyl-5-pyridin-2-ylpyridine;2-phenyl-5-(trideuteriomethyl)pyridine
CID 153412527
8-[4-(2-deuteriopropan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(2-deuteriopropan-2-yl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[5-(2-deuteriopropan-2-yl)-4-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(iridium);4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine;tetrakis(2-phenyl-5-(trideuteriomethyl)pyridine);8-[5-propan-2-yl-4-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide
CID 161348890
[2-([1]benzofuro[3,2-c]pyridin-3-yl)benzene-3-id-1-yl]-trimethylsilane;iridium;2-phenyl-5-(trideuteriomethyl)pyridine
CID 155619239
CID 168766247
CID 168766247
[6-(2H-[1]benzofuro[2,3-b]pyridin-2-id-3-yl)-3-pyridinyl]-dimethyl-phenylsilane;[6-(1,3-dimethyl-7H-[1]benzofuro[2,3-c]pyridin-7-id-6-yl)-3-pyridinyl]-dimethyl-phenylsilane;dimethyl-[6-(7-methyl-3H-dibenzofuran-3-id-2-yl)-3-pyridinyl]-phenylsilane;tris(iridium);tris(2-phenylpyridine)
CID 160516375
2-(3H-dibenzofuran-3-id-4-yl)pyridine;iridium;5-methyl-2-phenylpyridine
CID 140775803
iridium;2-phenyl-5-(trideuteriomethyl)pyridine;2,3,4,5-tetradeuterio-6-(3H-dibenzofuran-3-id-4-yl)pyridine
CID 154587965
8-[4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium);bis(2-methyl-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide);2-phenylpyridine;tris(2-phenyl-5-(trideuteriomethyl)pyridine)
CID 159013793

Frequently Asked Questions

What is the IUPAC name of tetrakis(iridium);2-phenyl-4,5-bis(trideuteriomethyl)pyridine;bis(2-phenylpyridine);2-phenyl-5-(trideuteriomethyl)pyridine;2-pyridin-2-yl-3H-[1]benzofuro[2,3-b]pyridin-3-ide;3-pyridin-2-yl-2H-[1]benzofuro[3,2-b]pyridin-2-ide;7-pyridin-2-yl-6H-[1]benzofuro[2,3-b]pyridin-6-ide;7-pyridin-2-yl-8H-[1]benzofuro[3,2-b]pyridin-8-ide?
The IUPAC name of tetrakis(iridium);2-phenyl-4,5-bis(trideuteriomethyl)pyridine;bis(2-phenylpyridine);2-phenyl-5-(trideuteriomethyl)pyridine;2-pyridin-2-yl-3H-[1]benzofuro[2,3-b]pyridin-3-ide;3-pyridin-2-yl-2H-[1]benzofuro[3,2-b]pyridin-2-ide;7-pyridin-2-yl-6H-[1]benzofuro[2,3-b]pyridin-6-ide;7-pyridin-2-yl-8H-[1]benzofuro[3,2-b]pyridin-8-ide (CID 161006018) is tetrakis(iridium);2-phenyl-4,5-bis(trideuteriomethyl)pyridine;bis(2-phenylpyridine);2-phenyl-5-(trideuteriomethyl)pyridine;2-pyridin-2-yl-3H-[1]benzofuro[2,3-b]pyridin-3-ide;3-pyridin-2-yl-2H-[1]benzofuro[3,2-b]pyridin-2-ide;7-pyridin-2-yl-6H-[1]benzofuro[2,3-b]pyridin-6-ide;7-pyridin-2-yl-8H-[1]benzofuro[3,2-b]pyridin-8-ide.
What is the SMILES notation for tetrakis(iridium);2-phenyl-4,5-bis(trideuteriomethyl)pyridine;bis(2-phenylpyridine);2-phenyl-5-(trideuteriomethyl)pyridine;2-pyridin-2-yl-3H-[1]benzofuro[2,3-b]pyridin-3-ide;3-pyridin-2-yl-2H-[1]benzofuro[3,2-b]pyridin-2-ide;7-pyridin-2-yl-6H-[1]benzofuro[2,3-b]pyridin-6-ide;7-pyridin-2-yl-8H-[1]benzofuro[3,2-b]pyridin-8-ide?
The canonical SMILES for tetrakis(iridium);2-phenyl-4,5-bis(trideuteriomethyl)pyridine;bis(2-phenylpyridine);2-phenyl-5-(trideuteriomethyl)pyridine;2-pyridin-2-yl-3H-[1]benzofuro[2,3-b]pyridin-3-ide;3-pyridin-2-yl-2H-[1]benzofuro[3,2-b]pyridin-2-ide;7-pyridin-2-yl-6H-[1]benzofuro[2,3-b]pyridin-6-ide;7-pyridin-2-yl-8H-[1]benzofuro[3,2-b]pyridin-8-ide is [2H]C([2H])([2H])c1ccc(-c2[c-]cccc2)nc1.[2H]C([2H])([2H])c1cnc(-c2[c-]cccc2)cc1C([2H])([2H])[2H].[Ir].[Ir].[Ir].[Ir].[c-]1cc2c(cc1-c1ccccn1)oc1cccnc12.[c-]1cc2c(cc1-c1ccccn1)oc1ncccc12.[c-]1cc2c(nc1-c1ccccn1)oc1ccccc12.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1nc2c(cc1-c1ccccn1)oc1ccccc12.
What is the InChIKey of tetrakis(iridium);2-phenyl-4,5-bis(trideuteriomethyl)pyridine;bis(2-phenylpyridine);2-phenyl-5-(trideuteriomethyl)pyridine;2-pyridin-2-yl-3H-[1]benzofuro[2,3-b]pyridin-3-ide;3-pyridin-2-yl-2H-[1]benzofuro[3,2-b]pyridin-2-ide;7-pyridin-2-yl-6H-[1]benzofuro[2,3-b]pyridin-6-ide;7-pyridin-2-yl-8H-[1]benzofuro[3,2-b]pyridin-8-ide?
The InChIKey is MFPROAIMJIOVAG-ZUGZNVHBSA-N. The full InChI is InChI=1S/4C16H9N2O.C13H12N.C12H10N.2C11H8N.4Ir/c1-2-8-17-14(5-1)11-6-7-12-13-4-3-9-18-16(13)19-15(12)10-11;1-2-7-15-11(5-1)12-8-9-14(18-16(12)19-15)13-6-3-4-10-17-13;1-2-7-14-12(5-1)16-15(19-14)9-11(10-18-16)13-6-3-4-8-17-13;1-2-8-17-13(4-1)11-6-7-12-15(10-11)19-14-5-3-9-18-16(12)14;1-10-8-13(14-9-11(10)2)12-6-4-3-5-7-12;1-10-7-8-12(13-9-10)11-5-3-2-4-6-11;2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;/h1-5,7-10H;1-8,10H;1-9H;1-5,7-10H;3-6,8-9H,1-2H3;2-5,7-9H,1H3;2*1-6,8-9H;;;;/q8*-1;;;;/i;;;;1D3,2D3;1D3;;;;;;.
What are the key properties of tetrakis(iridium);2-phenyl-4,5-bis(trideuteriomethyl)pyridine;bis(2-phenylpyridine);2-phenyl-5-(trideuteriomethyl)pyridine;2-pyridin-2-yl-3H-[1]benzofuro[2,3-b]pyridin-3-ide;3-pyridin-2-yl-2H-[1]benzofuro[3,2-b]pyridin-2-ide;7-pyridin-2-yl-6H-[1]benzofuro[2,3-b]pyridin-6-ide;7-pyridin-2-yl-8H-[1]benzofuro[3,2-b]pyridin-8-ide?
tetrakis(iridium);2-phenyl-4,5-bis(trideuteriomethyl)pyridine;bis(2-phenylpyridine);2-phenyl-5-(trideuteriomethyl)pyridine;2-pyridin-2-yl-3H-[1]benzofuro[2,3-b]pyridin-3-ide;3-pyridin-2-yl-2H-[1]benzofuro[3,2-b]pyridin-2-ide;7-pyridin-2-yl-6H-[1]benzofuro[2,3-b]pyridin-6-ide;7-pyridin-2-yl-8H-[1]benzofuro[3,2-b]pyridin-8-ide has a molecular weight of 2417.82 g/mol, XLogP of 26.48, 11 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(iridium);2-phenyl-4,5-bis(trideuteriomethyl)pyridine;bis(2-phenylpyridine);2-phenyl-5-(trideuteriomethyl)pyridine;2-pyridin-2-yl-3H-[1]benzofuro[2,3-b]pyridin-3-ide;3-pyridin-2-yl-2H-[1]benzofuro[3,2-b]pyridin-2-ide;7-pyridin-2-yl-6H-[1]benzofuro[2,3-b]pyridin-6-ide;7-pyridin-2-yl-8H-[1]benzofuro[3,2-b]pyridin-8-ide is sourced from PubChem (CID 161006018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).