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

C111H74Ir4N12O4-8 — CID 158336838

IUPAC4,5-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
SMILESCc1ccnc(-c2[c-]nc3oc4ccccc4c3c2)c1.Cc1cnc(-c2[c-]cccc2)cc1C.[Ir].[Ir].[Ir].[Ir].[c-]1cc2c(cc1-c1ccccn1)oc1cccnc12.[c-]1cc2c(nc1-c1ccccn1)oc1ccccc12.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1nc2c(cc1-c1ccccn1)oc1ccccc12
InChIInChI=1S/C17H11N2O.3C16H9N2O.C13H12N.3C11H8N.4Ir/c1-11-6-7-18-15(8-11)12-9-14-13-4-2-3-5-16(13)20-17(14)19-10-12;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;3*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;/h2-9H,1H3;1-8,10H;1-9H;1-5,7-10H;3-6,8-9H,1-2H3;3*1-6,8-9H;;;;/q8*-1;;;;
InChIKeyALSSHZFGISMZQM-UHFFFAOYSA-N
MW2408.76 g/mol
LogP26.48
Rot. Bonds8

About 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

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 (PubChem CID 158336838) has the molecular formula C111H74Ir4N12O4-8 and a molecular weight of 2408.76 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4,5-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
PubChem CID158336838
Molecular FormulaC111H74Ir4N12O4-8
Molecular Weight2408.76 g/mol
Exact Mass2410.45
IUPAC Name4,5-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
SMILESCc1ccnc(-c2[c-]nc3oc4ccccc4c3c2)c1.Cc1cnc(-c2[c-]cccc2)cc1C.[Ir].[Ir].[Ir].[Ir].[c-]1cc2c(cc1-c1ccccn1)oc1cccnc12.[c-]1cc2c(nc1-c1ccccn1)oc1ccccc12.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1nc2c(cc1-c1ccccn1)oc1ccccc12
InChIInChI=1S/C17H11N2O.3C16H9N2O.C13H12N.3C11H8N.4Ir/c1-11-6-7-18-15(8-11)12-9-14-13-4-2-3-5-16(13)20-17(14)19-10-12;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;3*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;/h2-9H,1H3;1-8,10H;1-9H;1-5,7-10H;3-6,8-9H,1-2H3;3*1-6,8-9H;;;;/q8*-1;;;;
InChIKeyALSSHZFGISMZQM-UHFFFAOYSA-N
XLogP26.48
TPSA207.24 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds8
Heavy Atoms131
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002408.76
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 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 with MolForge

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Related Compounds

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
2-(3H-dibenzofuran-3-id-2-yl)pyridine;iridium;4-methyl-5-phenyl-2-phenylpyridine
CID 59500159
[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-(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
4,5-dimethyl-2-(4-naphtho[2,1-b][1]benzofuran-4-ylbenzene-6-id-1-yl)pyridine;iridium;2-phenylpyridine
CID 172506775
[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-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-6-yl)-3-pyridinyl]-phenylsilane;tris(iridium);tris(2-phenylpyridine)
CID 159227979
2-(3H-dibenzofuran-3-id-2-yl)-4-(1-phenylethyl)pyridine;iridium;2-phenylpyridine
CID 162707348
[6-(2H-[1]benzofuro[2,3-b]pyridin-2-id-3-yl)-3-pyridinyl]-trimethylsilane;[6-(7H-[1]benzofuro[2,3-b]pyridin-7-id-6-yl)-3-pyridinyl]-trimethylsilane;tris(iridium);trimethyl-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-6-yl)-4-(2-methylpropyl)-3-pyridinyl]silane;tris(trimethyl-(6-phenyl-3-pyridinyl)silane)
CID 158870290
iridium;4-methyl-2-(7-phenyl-2H-dibenzofuran-2-id-3-yl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 166578482
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
tris(2-(3H-dibenzofuran-3-id-4-yl)pyridine);tetrakis(iridium);4-methyl-2-(6-methyl-3H-dibenzofuran-3-id-4-yl)pyridine;bis(5-methyl-2-phenylpyridine);bis(2-phenylpyridine)
CID 158275223
2-(2,8-dimethyl-3H-dibenzofuran-3-id-4-yl)-4,5-dimethylpyridine;iridium;2-phenylpyridine
CID 167425258

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccnc(-c2[c-]nc3oc4ccccc4c3c2)c1.Cc1cnc(-c2[c-]cccc2)cc1C.[Ir].[Ir].[Ir].[Ir].[c-]1cc2c(cc1-c1ccccn1)oc1cccnc12.[c-]1cc2c(nc1-c1ccccn1)oc1ccccc12.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1nc2c(cc1-c1ccccn1)oc1ccccc12.
What is the InChIKey of 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?
The InChIKey is ALSSHZFGISMZQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N2O.3C16H9N2O.C13H12N.3C11H8N.4Ir/c1-11-6-7-18-15(8-11)12-9-14-13-4-2-3-5-16(13)20-17(14)19-10-12;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;3*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;/h2-9H,1H3;1-8,10H;1-9H;1-5,7-10H;3-6,8-9H,1-2H3;3*1-6,8-9H;;;;/q8*-1;;;;.
What are the key properties of 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?
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 has a molecular weight of 2408.76 g/mol, XLogP of 26.48, 8 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158336838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).