pentakis(iridium);2-methyl-6-(3-methylbenzene-6-id-1-yl)pyridine;4-(2-methylpropyl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;5-(2-methylpropyl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;4-(2-methylpropyl)-2-phenylpyridine;5-(2-methylpropyl)-2-phenylpyridine

C85H84Ir5N5-5 — CID 159745075

IUPACpentakis(iridium);2-methyl-6-(3-methylbenzene-6-id-1-yl)pyridine;4-(2-methylpropyl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;5-(2-methylpropyl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;4-(2-methylpropyl)-2-phenylpyridine;5-(2-methylpropyl)-2-phenylpyridine
SMILESCC(C)Cc1ccc(-c2[c-]ccc(-c3ccccc3)c2)nc1.CC(C)Cc1ccc(-c2[c-]cccc2)nc1.CC(C)Cc1ccnc(-c2[c-]ccc(-c3ccccc3)c2)c1.CC(C)Cc1ccnc(-c2[c-]cccc2)c1.Cc1cc[c-]c(-c2cccc(C)n2)c1.[Ir].[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/2C21H20N.2C15H16N.C13H12N.5Ir/c1-16(2)13-17-11-12-21(22-15-17)20-10-6-9-19(14-20)18-7-4-3-5-8-18;1-16(2)13-17-11-12-22-21(14-17)20-10-6-9-19(15-20)18-7-4-3-5-8-18;1-12(2)10-13-8-9-16-15(11-13)14-6-4-3-5-7-14;1-12(2)10-13-8-9-15(16-11-13)14-6-4-3-5-7-14;1-10-5-3-7-12(9-10)13-8-4-6-11(2)14-13;;;;;/h2*3-9,11-12,14-16H,13H2,1-2H3;2*3-6,8-9,11-12H,10H2,1-2H3;3-6,8-9H,1-2H3;;;;;/q5*-1;;;;;
InChIKeyCOWALDIEFNMDII-UHFFFAOYSA-N
MW2136.73 g/mol
LogP21.48
Rot. Bonds15

About pentakis(iridium);2-methyl-6-(3-methylbenzene-6-id-1-yl)pyridine;4-(2-methylpropyl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;5-(2-methylpropyl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;4-(2-methylpropyl)-2-phenylpyridine;5-(2-methylpropyl)-2-phenylpyridine

pentakis(iridium);2-methyl-6-(3-methylbenzene-6-id-1-yl)pyridine;4-(2-methylpropyl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;5-(2-methylpropyl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;4-(2-methylpropyl)-2-phenylpyridine;5-(2-methylpropyl)-2-phenylpyridine (PubChem CID 159745075) has the molecular formula C85H84Ir5N5-5 and a molecular weight of 2136.73 g/mol. Its IUPAC name is pentakis(iridium);2-methyl-6-(3-methylbenzene-6-id-1-yl)pyridine;4-(2-methylpropyl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;5-(2-methylpropyl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;4-(2-methylpropyl)-2-phenylpyridine;5-(2-methylpropyl)-2-phenylpyridine.

Molecular Properties

Compound Namepentakis(iridium);2-methyl-6-(3-methylbenzene-6-id-1-yl)pyridine;4-(2-methylpropyl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;5-(2-methylpropyl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;4-(2-methylpropyl)-2-phenylpyridine;5-(2-methylpropyl)-2-phenylpyridine
PubChem CID159745075
Molecular FormulaC85H84Ir5N5-5
Molecular Weight2136.73 g/mol
Exact Mass2139.49
IUPAC Namepentakis(iridium);2-methyl-6-(3-methylbenzene-6-id-1-yl)pyridine;4-(2-methylpropyl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;5-(2-methylpropyl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;4-(2-methylpropyl)-2-phenylpyridine;5-(2-methylpropyl)-2-phenylpyridine
SMILESCC(C)Cc1ccc(-c2[c-]ccc(-c3ccccc3)c2)nc1.CC(C)Cc1ccc(-c2[c-]cccc2)nc1.CC(C)Cc1ccnc(-c2[c-]ccc(-c3ccccc3)c2)c1.CC(C)Cc1ccnc(-c2[c-]cccc2)c1.Cc1cc[c-]c(-c2cccc(C)n2)c1.[Ir].[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/2C21H20N.2C15H16N.C13H12N.5Ir/c1-16(2)13-17-11-12-21(22-15-17)20-10-6-9-19(14-20)18-7-4-3-5-8-18;1-16(2)13-17-11-12-22-21(14-17)20-10-6-9-19(15-20)18-7-4-3-5-8-18;1-12(2)10-13-8-9-16-15(11-13)14-6-4-3-5-7-14;1-12(2)10-13-8-9-15(16-11-13)14-6-4-3-5-7-14;1-10-5-3-7-12(9-10)13-8-4-6-11(2)14-13;;;;;/h2*3-9,11-12,14-16H,13H2,1-2H3;2*3-6,8-9,11-12H,10H2,1-2H3;3-6,8-9H,1-2H3;;;;;/q5*-1;;;;;
InChIKeyCOWALDIEFNMDII-UHFFFAOYSA-N
XLogP21.48
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms95
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002136.73
LogP ≤ 521.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze pentakis(iridium);2-methyl-6-(3-methylbenzene-6-id-1-yl)pyridine;4-(2-methylpropyl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;5-(2-methylpropyl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;4-(2-methylpropyl)-2-phenylpyridine;5-(2-methylpropyl)-2-phenylpyridine with MolForge

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Related Compounds

tetrakis(iridium);4-(2-methylpropyl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;5-(2-methylpropyl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;4-(2-methylpropyl)-2-phenylpyridine;5-(2-methylpropyl)-2-phenylpyridine
CID 159542369
bis(iridium);4-(2-methylpropyl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;4-(2-methylpropyl)-2-phenylpyridine;bis(4-(2-methylpropyl)-2-phenylpyridine)
CID 158115566
4-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;tris(iridium);5-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;4-(2-methylpropyl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;bis(2-phenylpyridine)
CID 158255265
2-[3-[4-(2,2-dimethylpropyl)phenyl]benzene-6-id-1-yl]pyridine;tetrakis(iridium);2-[3-(4-methylphenyl)benzene-6-id-1-yl]pyridine;bis(2-[3-[4-(2-methylpropyl)phenyl]benzene-6-id-1-yl]pyridine);2-(3-phenylbenzene-6-id-1-yl)pyridine;tris(2-phenylpyridine)
CID 160708455
4,5-dimethyl-2-(3-methylbenzene-6-id-1-yl)pyridine;tetrakis(iridium);2-methyl-3-phenyl-6-phenylpyridine;5-(2-methylpropyl)-2-phenylpyridine;5-phenyl-2-phenylpyrazine;tris(2-phenylpyridine)
CID 159379834
4-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;5-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;pentakis(iridium);5-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;4-(2-methylpropyl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;2-(3-phenylbenzene-6-id-1-yl)-5-propan-2-ylpyridine;bis(2-phenylpyridine)
CID 159954151
pentakis(iridium);2-methyl-6-(4-phenylbenzene-6-id-1-yl)pyridine;4-methyl-2-(4-phenylbenzene-6-id-1-yl)pyridine;2-methyl-6-phenylpyridine;bis(2-(4-phenylbenzene-6-id-1-yl)pyridine);5-phenyl-2-phenylpyridine;tetrakis(2-phenylpyridine)
CID 158247432
4-tert-butyl-2-[3-[4-(3,5-diphenylphenyl)phenyl]benzene-6-id-1-yl]pyridine;4-tert-butyl-2-[3-[3-(3-phenylphenyl)phenyl]benzene-6-id-1-yl]pyridine;tris(iridium);4-(2-methylpropyl)-2-[3-[4-(4-phenylphenyl)phenyl]benzene-6-id-1-yl]pyridine
CID 159848075
bis(4-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine);4-tert-butyl-2-phenylpyridine;tetrakis(iridium);5-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;bis(5-methyl-2-phenylpyridine);2-[6-(2-methylpropyl)-3H-dibenzofuran-3-id-4-yl]pyridine;5-(2-methylpropyl)-2-phenylpyridine
CID 162214402
4-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;pentakis(iridium);2-[3-(3-methylphenyl)benzene-6-id-1-yl]pyridine;2-methyl-6-(3-phenylbenzene-6-id-1-yl)pyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine;2-(4-phenylbenzene-6-id-1-yl)pyridine;bis(2-phenylpyridine)
CID 158899422
4-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;5-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;tetrakis(5-tert-butyl-2-phenylpyridine);2-(3H-dibenzofuran-3-id-4-yl)pyridine;pentakis(iridium);5-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;2-[6-(2-methylpropyl)-3H-dibenzofuran-3-id-4-yl]pyridine;5-(2-methylpropyl)-2-phenylpyridine
CID 160554173
tetrakis(iridium);tetrakis(2-phenyl-6-(trideuteriomethyl)pyridine);trimethyl-[2-(3-phenylbenzene-6-id-1-yl)-4-pyridinyl]germane;trimethyl-[2-(4-phenylbenzene-6-id-1-yl)-4-pyridinyl]germane;trimethyl-[6-(4-phenylbenzene-6-id-1-yl)-3-pyridinyl]germane;trimethyl-(2-phenyl-4-pyridinyl)germane
CID 161340323

Frequently Asked Questions

What is the IUPAC name of pentakis(iridium);2-methyl-6-(3-methylbenzene-6-id-1-yl)pyridine;4-(2-methylpropyl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;5-(2-methylpropyl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;4-(2-methylpropyl)-2-phenylpyridine;5-(2-methylpropyl)-2-phenylpyridine?
The IUPAC name of pentakis(iridium);2-methyl-6-(3-methylbenzene-6-id-1-yl)pyridine;4-(2-methylpropyl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;5-(2-methylpropyl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;4-(2-methylpropyl)-2-phenylpyridine;5-(2-methylpropyl)-2-phenylpyridine (CID 159745075) is pentakis(iridium);2-methyl-6-(3-methylbenzene-6-id-1-yl)pyridine;4-(2-methylpropyl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;5-(2-methylpropyl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;4-(2-methylpropyl)-2-phenylpyridine;5-(2-methylpropyl)-2-phenylpyridine.
What is the SMILES notation for pentakis(iridium);2-methyl-6-(3-methylbenzene-6-id-1-yl)pyridine;4-(2-methylpropyl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;5-(2-methylpropyl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;4-(2-methylpropyl)-2-phenylpyridine;5-(2-methylpropyl)-2-phenylpyridine?
The canonical SMILES for pentakis(iridium);2-methyl-6-(3-methylbenzene-6-id-1-yl)pyridine;4-(2-methylpropyl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;5-(2-methylpropyl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;4-(2-methylpropyl)-2-phenylpyridine;5-(2-methylpropyl)-2-phenylpyridine is CC(C)Cc1ccc(-c2[c-]ccc(-c3ccccc3)c2)nc1.CC(C)Cc1ccc(-c2[c-]cccc2)nc1.CC(C)Cc1ccnc(-c2[c-]ccc(-c3ccccc3)c2)c1.CC(C)Cc1ccnc(-c2[c-]cccc2)c1.Cc1cc[c-]c(-c2cccc(C)n2)c1.[Ir].[Ir].[Ir].[Ir].[Ir].
What is the InChIKey of pentakis(iridium);2-methyl-6-(3-methylbenzene-6-id-1-yl)pyridine;4-(2-methylpropyl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;5-(2-methylpropyl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;4-(2-methylpropyl)-2-phenylpyridine;5-(2-methylpropyl)-2-phenylpyridine?
The InChIKey is COWALDIEFNMDII-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H20N.2C15H16N.C13H12N.5Ir/c1-16(2)13-17-11-12-21(22-15-17)20-10-6-9-19(14-20)18-7-4-3-5-8-18;1-16(2)13-17-11-12-22-21(14-17)20-10-6-9-19(15-20)18-7-4-3-5-8-18;1-12(2)10-13-8-9-16-15(11-13)14-6-4-3-5-7-14;1-12(2)10-13-8-9-15(16-11-13)14-6-4-3-5-7-14;1-10-5-3-7-12(9-10)13-8-4-6-11(2)14-13;;;;;/h2*3-9,11-12,14-16H,13H2,1-2H3;2*3-6,8-9,11-12H,10H2,1-2H3;3-6,8-9H,1-2H3;;;;;/q5*-1;;;;;.
What are the key properties of pentakis(iridium);2-methyl-6-(3-methylbenzene-6-id-1-yl)pyridine;4-(2-methylpropyl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;5-(2-methylpropyl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;4-(2-methylpropyl)-2-phenylpyridine;5-(2-methylpropyl)-2-phenylpyridine?
pentakis(iridium);2-methyl-6-(3-methylbenzene-6-id-1-yl)pyridine;4-(2-methylpropyl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;5-(2-methylpropyl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;4-(2-methylpropyl)-2-phenylpyridine;5-(2-methylpropyl)-2-phenylpyridine has a molecular weight of 2136.73 g/mol, XLogP of 21.48, 15 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pentakis(iridium);2-methyl-6-(3-methylbenzene-6-id-1-yl)pyridine;4-(2-methylpropyl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;5-(2-methylpropyl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;4-(2-methylpropyl)-2-phenylpyridine;5-(2-methylpropyl)-2-phenylpyridine is sourced from PubChem (CID 159745075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).