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)

C143H106Ir5N10-10 — CID 158247432

IUPACpentakis(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)
SMILESCc1cccc(-c2[c-]cc(-c3ccccc3)cc2)n1.Cc1cccc(-c2[c-]cccc2)n1.Cc1ccnc(-c2[c-]cc(-c3ccccc3)cc2)c1.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1cc(-c2ccccc2)ccc1-c1ccccn1.[c-]1cc(-c2ccccc2)ccc1-c1ccccn1.[c-]1ccccc1-c1ccc(-c2ccccc2)cn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
InChIInChI=1S/2C18H14N.3C17H12N.C12H10N.4C11H8N.5Ir/c1-14-6-5-9-18(19-14)17-12-10-16(11-13-17)15-7-3-2-4-8-15;1-14-11-12-19-18(13-14)17-9-7-16(8-10-17)15-5-3-2-4-6-15;1-3-7-14(8-4-1)16-11-12-17(18-13-16)15-9-5-2-6-10-15;2*1-2-6-14(7-3-1)15-9-11-16(12-10-15)17-8-4-5-13-18-17;1-10-6-5-9-12(13-10)11-7-3-2-4-8-11;4*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;;/h2-12H,1H3;2-9,11-13H,1H3;1-9,11-13H;2*1-11,13H;2-7,9H,1H3;4*1-6,8-9H;;;;;/q10*-1;;;;;
InChIKeySLUWJEQBNMDNOG-UHFFFAOYSA-N
MW2925.58 g/mol
LogP34.74
Rot. Bonds15

About 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)

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) (PubChem CID 158247432) has the molecular formula C143H106Ir5N10-10 and a molecular weight of 2925.58 g/mol. Its IUPAC name is 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).

Molecular Properties

Compound Namepentakis(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)
PubChem CID158247432
Molecular FormulaC143H106Ir5N10-10
Molecular Weight2925.58 g/mol
Exact Mass2927.68
IUPAC Namepentakis(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)
SMILESCc1cccc(-c2[c-]cc(-c3ccccc3)cc2)n1.Cc1cccc(-c2[c-]cccc2)n1.Cc1ccnc(-c2[c-]cc(-c3ccccc3)cc2)c1.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1cc(-c2ccccc2)ccc1-c1ccccn1.[c-]1cc(-c2ccccc2)ccc1-c1ccccn1.[c-]1ccccc1-c1ccc(-c2ccccc2)cn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
InChIInChI=1S/2C18H14N.3C17H12N.C12H10N.4C11H8N.5Ir/c1-14-6-5-9-18(19-14)17-12-10-16(11-13-17)15-7-3-2-4-8-15;1-14-11-12-19-18(13-14)17-9-7-16(8-10-17)15-5-3-2-4-6-15;1-3-7-14(8-4-1)16-11-12-17(18-13-16)15-9-5-2-6-10-15;2*1-2-6-14(7-3-1)15-9-11-16(12-10-15)17-8-4-5-13-18-17;1-10-6-5-9-12(13-10)11-7-3-2-4-8-11;4*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;;/h2-12H,1H3;2-9,11-13H,1H3;1-9,11-13H;2*1-11,13H;2-7,9H,1H3;4*1-6,8-9H;;;;;/q10*-1;;;;;
InChIKeySLUWJEQBNMDNOG-UHFFFAOYSA-N
XLogP34.74
TPSA128.90 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds15
Heavy Atoms158
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002925.58
LogP ≤ 534.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 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) with MolForge

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Related Compounds

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
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
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
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
iridium(3+);2-phenyl-5-[3-[3-[2-[2-[3-[2-[3-[3-(4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]benzene-6-id-1-yl]-4-pyridinyl]phenyl]phenyl]phenyl]pyridine
CID 162697648
pentakis(iridium);pentakis(2-(3-methylbenzene-6-id-1-yl)pyridine);5-methyl-2-(3-methylbenzene-6-id-1-yl)pyridine;bis(4-methyl-2-phenylpyridine);bis(5-methyl-2-phenylpyridine)
CID 159709383
tetrakis(iridium);2-[3-(3-methylphenyl)benzene-6-id-1-yl]pyridine;2-[3-(4-methylphenyl)benzene-6-id-1-yl]pyridine;4-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;5-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine
CID 159132811
iridium;5-methyl-2-(4-methylbenzene-6-id-1-yl)pyridine;4-phenyl-2-phenylpyridine
CID 176756153
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
iridium;4-methyl-5-phenyl-2-phenylpyridine;2-methyl-6-phenylpyridine
CID 58435058
CID 164803445
CID 164803445
iridium;4-methyl-2-(7-phenyl-2H-dibenzofuran-2-id-3-yl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 166578482

Frequently Asked Questions

What is the IUPAC name of 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)?
The IUPAC name of 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) is 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).
What is the SMILES notation for 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)?
The canonical SMILES for 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) is Cc1cccc(-c2[c-]cc(-c3ccccc3)cc2)n1.Cc1cccc(-c2[c-]cccc2)n1.Cc1ccnc(-c2[c-]cc(-c3ccccc3)cc2)c1.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1cc(-c2ccccc2)ccc1-c1ccccn1.[c-]1cc(-c2ccccc2)ccc1-c1ccccn1.[c-]1ccccc1-c1ccc(-c2ccccc2)cn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.
What is the InChIKey of 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)?
The InChIKey is SLUWJEQBNMDNOG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H14N.3C17H12N.C12H10N.4C11H8N.5Ir/c1-14-6-5-9-18(19-14)17-12-10-16(11-13-17)15-7-3-2-4-8-15;1-14-11-12-19-18(13-14)17-9-7-16(8-10-17)15-5-3-2-4-6-15;1-3-7-14(8-4-1)16-11-12-17(18-13-16)15-9-5-2-6-10-15;2*1-2-6-14(7-3-1)15-9-11-16(12-10-15)17-8-4-5-13-18-17;1-10-6-5-9-12(13-10)11-7-3-2-4-8-11;4*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;;/h2-12H,1H3;2-9,11-13H,1H3;1-9,11-13H;2*1-11,13H;2-7,9H,1H3;4*1-6,8-9H;;;;;/q10*-1;;;;;.
What are the key properties of 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)?
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) has a molecular weight of 2925.58 g/mol, XLogP of 34.74, 15 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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) is sourced from PubChem (CID 158247432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).