pentakis(iridium);2-(4-methylbenzene-6-id-1-yl)pyridine;4-(2-methylphenyl)-2-phenylpyridine;4-methyl-5-phenyl-2-phenylpyridine;4-(2,3,4,5,6-pentadeuteriophenyl)-2-phenylpyridine;bis(5-phenyl-2-phenylpyridine);tris(2-phenylpyridine)

C132H98Ir5N9-9 — CID 159371989

IUPACpentakis(iridium);2-(4-methylbenzene-6-id-1-yl)pyridine;4-(2-methylphenyl)-2-phenylpyridine;4-methyl-5-phenyl-2-phenylpyridine;4-(2,3,4,5,6-pentadeuteriophenyl)-2-phenylpyridine;bis(5-phenyl-2-phenylpyridine);tris(2-phenylpyridine)
SMILESCc1c[c-]c(-c2ccccn2)cc1.Cc1cc(-c2[c-]cccc2)ncc1-c1ccccc1.Cc1ccccc1-c1ccnc(-c2[c-]cccc2)c1.[2H]c1c([2H])c([2H])c(-c2ccnc(-c3[c-]cccc3)c2)c([2H])c1[2H].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccc(-c2ccccc2)cn1.[c-]1ccccc1-c1ccc(-c2ccccc2)cn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
InChIInChI=1S/2C18H14N.3C17H12N.C12H10N.3C11H8N.5Ir/c1-14-12-18(16-10-6-3-7-11-16)19-13-17(14)15-8-4-2-5-9-15;1-14-7-5-6-10-17(14)16-11-12-19-18(13-16)15-8-3-2-4-9-15;1-3-7-14(8-4-1)16-11-12-18-17(13-16)15-9-5-2-6-10-15;2*1-3-7-14(8-4-1)16-11-12-17(18-13-16)15-9-5-2-6-10-15;1-10-5-7-11(8-6-10)12-4-2-3-9-13-12;3*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;;/h2-10,12-13H,1H3;2-8,10-13H,1H3;3*1-9,11-13H;2-7,9H,1H3;3*1-6,8-9H;;;;;/q9*-1;;;;;/i;;1D,3D,4D,7D,8D;;;;;;;;;;;
InChIKeyVHOQTMACDGEARB-DQZTXVCESA-N
MW2776.41 g/mol
LogP32.19
Rot. Bonds14

About pentakis(iridium);2-(4-methylbenzene-6-id-1-yl)pyridine;4-(2-methylphenyl)-2-phenylpyridine;4-methyl-5-phenyl-2-phenylpyridine;4-(2,3,4,5,6-pentadeuteriophenyl)-2-phenylpyridine;bis(5-phenyl-2-phenylpyridine);tris(2-phenylpyridine)

pentakis(iridium);2-(4-methylbenzene-6-id-1-yl)pyridine;4-(2-methylphenyl)-2-phenylpyridine;4-methyl-5-phenyl-2-phenylpyridine;4-(2,3,4,5,6-pentadeuteriophenyl)-2-phenylpyridine;bis(5-phenyl-2-phenylpyridine);tris(2-phenylpyridine) (PubChem CID 159371989) has the molecular formula C132H98Ir5N9-9 and a molecular weight of 2776.41 g/mol. Its IUPAC name is pentakis(iridium);2-(4-methylbenzene-6-id-1-yl)pyridine;4-(2-methylphenyl)-2-phenylpyridine;4-methyl-5-phenyl-2-phenylpyridine;4-(2,3,4,5,6-pentadeuteriophenyl)-2-phenylpyridine;bis(5-phenyl-2-phenylpyridine);tris(2-phenylpyridine).

Molecular Properties

Compound Namepentakis(iridium);2-(4-methylbenzene-6-id-1-yl)pyridine;4-(2-methylphenyl)-2-phenylpyridine;4-methyl-5-phenyl-2-phenylpyridine;4-(2,3,4,5,6-pentadeuteriophenyl)-2-phenylpyridine;bis(5-phenyl-2-phenylpyridine);tris(2-phenylpyridine)
PubChem CID159371989
Molecular FormulaC132H98Ir5N9-9
Molecular Weight2776.41 g/mol
Exact Mass2778.65
IUPAC Namepentakis(iridium);2-(4-methylbenzene-6-id-1-yl)pyridine;4-(2-methylphenyl)-2-phenylpyridine;4-methyl-5-phenyl-2-phenylpyridine;4-(2,3,4,5,6-pentadeuteriophenyl)-2-phenylpyridine;bis(5-phenyl-2-phenylpyridine);tris(2-phenylpyridine)
SMILESCc1c[c-]c(-c2ccccn2)cc1.Cc1cc(-c2[c-]cccc2)ncc1-c1ccccc1.Cc1ccccc1-c1ccnc(-c2[c-]cccc2)c1.[2H]c1c([2H])c([2H])c(-c2ccnc(-c3[c-]cccc3)c2)c([2H])c1[2H].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccc(-c2ccccc2)cn1.[c-]1ccccc1-c1ccc(-c2ccccc2)cn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
InChIInChI=1S/2C18H14N.3C17H12N.C12H10N.3C11H8N.5Ir/c1-14-12-18(16-10-6-3-7-11-16)19-13-17(14)15-8-4-2-5-9-15;1-14-7-5-6-10-17(14)16-11-12-19-18(13-16)15-8-3-2-4-9-15;1-3-7-14(8-4-1)16-11-12-18-17(13-16)15-9-5-2-6-10-15;2*1-3-7-14(8-4-1)16-11-12-17(18-13-16)15-9-5-2-6-10-15;1-10-5-7-11(8-6-10)12-4-2-3-9-13-12;3*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;;/h2-10,12-13H,1H3;2-8,10-13H,1H3;3*1-9,11-13H;2-7,9H,1H3;3*1-6,8-9H;;;;;/q9*-1;;;;;/i;;1D,3D,4D,7D,8D;;;;;;;;;;;
InChIKeyVHOQTMACDGEARB-DQZTXVCESA-N
XLogP32.19
TPSA116.01 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds14
Heavy Atoms146
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002776.41
LogP ≤ 532.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze pentakis(iridium);2-(4-methylbenzene-6-id-1-yl)pyridine;4-(2-methylphenyl)-2-phenylpyridine;4-methyl-5-phenyl-2-phenylpyridine;4-(2,3,4,5,6-pentadeuteriophenyl)-2-phenylpyridine;bis(5-phenyl-2-phenylpyridine);tris(2-phenylpyridine) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;tetrakis(iridium);2-(4-methylbenzene-6-id-1-yl)pyridine;4-(2-methylphenyl)-2-phenylpyridine;4-methyl-5-phenyl-2-phenylpyridine;5-(2,3,4,5,6-pentadeuteriophenyl)-2-phenylpyridine;5-phenyl-2-phenylpyridine;bis(2-phenylpyridine)
CID 162263245
iridium;5-methyl-2-(4-methylbenzene-6-id-1-yl)pyridine;4-phenyl-2-phenylpyridine
CID 176756153
iridium;4-methyl-5-phenyl-2-phenylpyridine;phenylbenzene;2-phenylpyridine
CID 164769072
tetrakis(iridium);4-methyl-5-phenyl-2-phenylpyridine;2-methyl-6-phenylpyridine;5-methyl-2-phenylpyridine;bis(5-phenyl-2-phenylpyridine);2-phenylpyridine;2,3,4,5-tetradeuterio-6-(2,3,4,5-tetradeuteriobenzene-6-id-1-yl)pyridine;2,4,5-trideuterio-3-(2,3,4,5,6-pentadeuteriophenyl)-6-(2,3,4,5-tetradeuteriobenzene-6-id-1-yl)pyridine
CID 160734871
pentakis(iridium);bis(4-methyl-2-(4-phenylbenzene-6-id-1-yl)pyridine);5-methyl-2-(4-phenylbenzene-6-id-1-yl)pyridine;4-methyl-5-phenyl-2-phenylpyridine;2-methyl-6-phenylpyridine;2-(4-phenylbenzene-6-id-1-yl)pyridine;tetrakis(2-phenylpyridine)
CID 162204735
iridium;2-(2-methylphenyl)-4-phenylpyridine;2-phenylpyridine
CID 166502440
2-[3-(9H-fluoren-9-yl)benzene-6-id-1-yl]pyridine;tetrakis(iridium);2-(3-methyl-4-phenylbenzene-6-id-1-yl)pyridine;4-(2-methylphenyl)-2-phenylpyridine;4-methyl-5-phenyl-2-phenylpyridine;bis(2-phenylpyridine)
CID 159704939
2-(4-fluorobenzene-6-id-1-yl)-4-methyl-5-phenylpyridine;iridium;2-phenylpyridine
CID 168821649
iridium;5-(2-methylphenyl)-2-phenylpyridine;2-phenylpyridine
CID 58435113
tetrakis(iridium);4-methyl-2-(4-phenylbenzene-6-id-1-yl)pyridine;5-methyl-2-(4-phenylbenzene-6-id-1-yl)pyridine;4-methyl-5-phenyl-2-phenylpyridine;2-methyl-6-phenylpyridine;2-(4-phenylbenzene-6-id-1-yl)-4-(trideuteriomethyl)pyridine;tris(2-phenylpyridine)
CID 158811687
5-(4-fluoro-2-methylphenyl)-2-phenylpyridine;tris(iridium);4-(4-methylphenyl)-2-phenylpyridine;tris(5-methyl-2-phenylpyridine);4-phenyl-2-phenylpyridine
CID 158360388
4-tert-butyl-2-phenylpyridine;5-(3,4-dimethylphenyl)-2-phenylpyridine;tetrakis(iridium);5-(2-methylphenyl)-2-phenylpyridine;bis(5-phenyl-2-phenylpyridine);2-phenylpyridine
CID 160687812

Frequently Asked Questions

What is the IUPAC name of pentakis(iridium);2-(4-methylbenzene-6-id-1-yl)pyridine;4-(2-methylphenyl)-2-phenylpyridine;4-methyl-5-phenyl-2-phenylpyridine;4-(2,3,4,5,6-pentadeuteriophenyl)-2-phenylpyridine;bis(5-phenyl-2-phenylpyridine);tris(2-phenylpyridine)?
The IUPAC name of pentakis(iridium);2-(4-methylbenzene-6-id-1-yl)pyridine;4-(2-methylphenyl)-2-phenylpyridine;4-methyl-5-phenyl-2-phenylpyridine;4-(2,3,4,5,6-pentadeuteriophenyl)-2-phenylpyridine;bis(5-phenyl-2-phenylpyridine);tris(2-phenylpyridine) (CID 159371989) is pentakis(iridium);2-(4-methylbenzene-6-id-1-yl)pyridine;4-(2-methylphenyl)-2-phenylpyridine;4-methyl-5-phenyl-2-phenylpyridine;4-(2,3,4,5,6-pentadeuteriophenyl)-2-phenylpyridine;bis(5-phenyl-2-phenylpyridine);tris(2-phenylpyridine).
What is the SMILES notation for pentakis(iridium);2-(4-methylbenzene-6-id-1-yl)pyridine;4-(2-methylphenyl)-2-phenylpyridine;4-methyl-5-phenyl-2-phenylpyridine;4-(2,3,4,5,6-pentadeuteriophenyl)-2-phenylpyridine;bis(5-phenyl-2-phenylpyridine);tris(2-phenylpyridine)?
The canonical SMILES for pentakis(iridium);2-(4-methylbenzene-6-id-1-yl)pyridine;4-(2-methylphenyl)-2-phenylpyridine;4-methyl-5-phenyl-2-phenylpyridine;4-(2,3,4,5,6-pentadeuteriophenyl)-2-phenylpyridine;bis(5-phenyl-2-phenylpyridine);tris(2-phenylpyridine) is Cc1c[c-]c(-c2ccccn2)cc1.Cc1cc(-c2[c-]cccc2)ncc1-c1ccccc1.Cc1ccccc1-c1ccnc(-c2[c-]cccc2)c1.[2H]c1c([2H])c([2H])c(-c2ccnc(-c3[c-]cccc3)c2)c([2H])c1[2H].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccc(-c2ccccc2)cn1.[c-]1ccccc1-c1ccc(-c2ccccc2)cn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.
What is the InChIKey of pentakis(iridium);2-(4-methylbenzene-6-id-1-yl)pyridine;4-(2-methylphenyl)-2-phenylpyridine;4-methyl-5-phenyl-2-phenylpyridine;4-(2,3,4,5,6-pentadeuteriophenyl)-2-phenylpyridine;bis(5-phenyl-2-phenylpyridine);tris(2-phenylpyridine)?
The InChIKey is VHOQTMACDGEARB-DQZTXVCESA-N. The full InChI is InChI=1S/2C18H14N.3C17H12N.C12H10N.3C11H8N.5Ir/c1-14-12-18(16-10-6-3-7-11-16)19-13-17(14)15-8-4-2-5-9-15;1-14-7-5-6-10-17(14)16-11-12-19-18(13-16)15-8-3-2-4-9-15;1-3-7-14(8-4-1)16-11-12-18-17(13-16)15-9-5-2-6-10-15;2*1-3-7-14(8-4-1)16-11-12-17(18-13-16)15-9-5-2-6-10-15;1-10-5-7-11(8-6-10)12-4-2-3-9-13-12;3*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;;/h2-10,12-13H,1H3;2-8,10-13H,1H3;3*1-9,11-13H;2-7,9H,1H3;3*1-6,8-9H;;;;;/q9*-1;;;;;/i;;1D,3D,4D,7D,8D;;;;;;;;;;;.
What are the key properties of pentakis(iridium);2-(4-methylbenzene-6-id-1-yl)pyridine;4-(2-methylphenyl)-2-phenylpyridine;4-methyl-5-phenyl-2-phenylpyridine;4-(2,3,4,5,6-pentadeuteriophenyl)-2-phenylpyridine;bis(5-phenyl-2-phenylpyridine);tris(2-phenylpyridine)?
pentakis(iridium);2-(4-methylbenzene-6-id-1-yl)pyridine;4-(2-methylphenyl)-2-phenylpyridine;4-methyl-5-phenyl-2-phenylpyridine;4-(2,3,4,5,6-pentadeuteriophenyl)-2-phenylpyridine;bis(5-phenyl-2-phenylpyridine);tris(2-phenylpyridine) has a molecular weight of 2776.41 g/mol, XLogP of 32.19, 14 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for pentakis(iridium);2-(4-methylbenzene-6-id-1-yl)pyridine;4-(2-methylphenyl)-2-phenylpyridine;4-methyl-5-phenyl-2-phenylpyridine;4-(2,3,4,5,6-pentadeuteriophenyl)-2-phenylpyridine;bis(5-phenyl-2-phenylpyridine);tris(2-phenylpyridine) is sourced from PubChem (CID 159371989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).