4,5-dimethyl-2-(4-phenylbenzene-6-id-1-yl)pyridine;tetrakis(iridium);5-methyl-2-(4-phenylbenzene-6-id-1-yl)pyridine;4-(1,1,2,2,2-pentadeuterioethyl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;2-(4-phenylbenzene-6-id-1-yl)pyridine;tetrakis(2-phenyl-5-(trideuteriomethyl)pyridine)

C121H98Ir4N8-8 — CID 162098213

IUPAC4,5-dimethyl-2-(4-phenylbenzene-6-id-1-yl)pyridine;tetrakis(iridium);5-methyl-2-(4-phenylbenzene-6-id-1-yl)pyridine;4-(1,1,2,2,2-pentadeuterioethyl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;2-(4-phenylbenzene-6-id-1-yl)pyridine;tetrakis(2-phenyl-5-(trideuteriomethyl)pyridine)
SMILESCc1ccc(-c2[c-]cc(-c3ccccc3)cc2)nc1.Cc1cnc(-c2[c-]cc(-c3ccccc3)cc2)cc1C.[2H]C([2H])([2H])C([2H])([2H])c1ccnc(-c2[c-]ccc(-c3ccccc3)c2)c1.[2H]C([2H])([2H])c1ccc(-c2[c-]cccc2)nc1.[2H]C([2H])([2H])c1ccc(-c2[c-]cccc2)nc1.[2H]C([2H])([2H])c1ccc(-c2[c-]cccc2)nc1.[2H]C([2H])([2H])c1ccc(-c2[c-]cccc2)nc1.[Ir].[Ir].[Ir].[Ir].[c-]1cc(-c2ccccc2)ccc1-c1ccccn1
InChIInChI=1S/2C19H16N.C18H14N.C17H12N.4C12H10N.4Ir/c1-14-12-19(20-13-15(14)2)18-10-8-17(9-11-18)16-6-4-3-5-7-16;1-2-15-11-12-20-19(13-15)18-10-6-9-17(14-18)16-7-4-3-5-8-16;1-14-7-12-18(19-13-14)17-10-8-16(9-11-17)15-5-3-2-4-6-15;1-2-6-14(7-3-1)15-9-11-16(12-10-15)17-8-4-5-13-18-17;4*1-10-7-8-12(13-9-10)11-5-3-2-4-6-11;;;;/h3-10,12-13H,1-2H3;3-9,11-14H,2H2,1H3;2-10,12-13H,1H3;1-11,13H;4*2-5,7-9H,1H3;;;;/q8*-1;;;;/i;1D3,2D2;;;4*1D3;;;;
InChIKeySBEBVACSTIHGQQ-RJBNKJMSSA-N
MW2450.14 g/mol
LogP29.77
Rot. Bonds18

About 4,5-dimethyl-2-(4-phenylbenzene-6-id-1-yl)pyridine;tetrakis(iridium);5-methyl-2-(4-phenylbenzene-6-id-1-yl)pyridine;4-(1,1,2,2,2-pentadeuterioethyl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;2-(4-phenylbenzene-6-id-1-yl)pyridine;tetrakis(2-phenyl-5-(trideuteriomethyl)pyridine)

4,5-dimethyl-2-(4-phenylbenzene-6-id-1-yl)pyridine;tetrakis(iridium);5-methyl-2-(4-phenylbenzene-6-id-1-yl)pyridine;4-(1,1,2,2,2-pentadeuterioethyl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;2-(4-phenylbenzene-6-id-1-yl)pyridine;tetrakis(2-phenyl-5-(trideuteriomethyl)pyridine) (PubChem CID 162098213) has the molecular formula C121H98Ir4N8-8 and a molecular weight of 2450.14 g/mol. Its IUPAC name is 4,5-dimethyl-2-(4-phenylbenzene-6-id-1-yl)pyridine;tetrakis(iridium);5-methyl-2-(4-phenylbenzene-6-id-1-yl)pyridine;4-(1,1,2,2,2-pentadeuterioethyl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;2-(4-phenylbenzene-6-id-1-yl)pyridine;tetrakis(2-phenyl-5-(trideuteriomethyl)pyridine).

Molecular Properties

Compound Name4,5-dimethyl-2-(4-phenylbenzene-6-id-1-yl)pyridine;tetrakis(iridium);5-methyl-2-(4-phenylbenzene-6-id-1-yl)pyridine;4-(1,1,2,2,2-pentadeuterioethyl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;2-(4-phenylbenzene-6-id-1-yl)pyridine;tetrakis(2-phenyl-5-(trideuteriomethyl)pyridine)
PubChem CID162098213
Molecular FormulaC121H98Ir4N8-8
Molecular Weight2450.14 g/mol
Exact Mass2451.75
IUPAC Name4,5-dimethyl-2-(4-phenylbenzene-6-id-1-yl)pyridine;tetrakis(iridium);5-methyl-2-(4-phenylbenzene-6-id-1-yl)pyridine;4-(1,1,2,2,2-pentadeuterioethyl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;2-(4-phenylbenzene-6-id-1-yl)pyridine;tetrakis(2-phenyl-5-(trideuteriomethyl)pyridine)
SMILESCc1ccc(-c2[c-]cc(-c3ccccc3)cc2)nc1.Cc1cnc(-c2[c-]cc(-c3ccccc3)cc2)cc1C.[2H]C([2H])([2H])C([2H])([2H])c1ccnc(-c2[c-]ccc(-c3ccccc3)c2)c1.[2H]C([2H])([2H])c1ccc(-c2[c-]cccc2)nc1.[2H]C([2H])([2H])c1ccc(-c2[c-]cccc2)nc1.[2H]C([2H])([2H])c1ccc(-c2[c-]cccc2)nc1.[2H]C([2H])([2H])c1ccc(-c2[c-]cccc2)nc1.[Ir].[Ir].[Ir].[Ir].[c-]1cc(-c2ccccc2)ccc1-c1ccccn1
InChIInChI=1S/2C19H16N.C18H14N.C17H12N.4C12H10N.4Ir/c1-14-12-19(20-13-15(14)2)18-10-8-17(9-11-18)16-6-4-3-5-7-16;1-2-15-11-12-20-19(13-15)18-10-6-9-17(14-18)16-7-4-3-5-8-16;1-14-7-12-18(19-13-14)17-10-8-16(9-11-17)15-5-3-2-4-6-15;1-2-6-14(7-3-1)15-9-11-16(12-10-15)17-8-4-5-13-18-17;4*1-10-7-8-12(13-9-10)11-5-3-2-4-6-11;;;;/h3-10,12-13H,1-2H3;3-9,11-14H,2H2,1H3;2-10,12-13H,1H3;1-11,13H;4*2-5,7-9H,1H3;;;;/q8*-1;;;;/i;1D3,2D2;;;4*1D3;;;;
InChIKeySBEBVACSTIHGQQ-RJBNKJMSSA-N
XLogP29.77
TPSA103.12 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds18
Heavy Atoms133
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002450.14
LogP ≤ 529.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 4,5-dimethyl-2-(4-phenylbenzene-6-id-1-yl)pyridine;tetrakis(iridium);5-methyl-2-(4-phenylbenzene-6-id-1-yl)pyridine;4-(1,1,2,2,2-pentadeuterioethyl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;2-(4-phenylbenzene-6-id-1-yl)pyridine;tetrakis(2-phenyl-5-(trideuteriomethyl)pyridine) 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

4-ethyl-2-(3-pyridin-2-ylbenzene-6-id-1-yl)pyridine;tetrakis(iridium);tetrakis(4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine);4-(1,1,2,2,2-pentadeuterioethyl)-2-(3-pyridin-2-ylbenzene-6-id-1-yl)pyridine;2-(4-phenylbenzene-6-id-1-yl)pyridine;2-(3-pyridin-2-ylbenzene-6-id-1-yl)-4-(trideuteriomethyl)pyridine
CID 158653288
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
iridium;2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;2-[3-[4-(trideuteriomethyl)phenyl]benzene-6-id-1-yl]pyridine
CID 164791666
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
iridium;4-methyl-2-phenyl-5-pyridin-2-ylpyridine;2-phenyl-5-(trideuteriomethyl)pyridine
CID 153412527
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);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
4,5-dimethyl-2-phenylpyridine;dimethyl-phenyl-[4-[5-(trideuteriomethyl)-2-pyridinyl]benzene-5-id-1-yl]silane;ethyl-methyl-[4-(4-methyl-2-pyridinyl)benzene-5-id-1-yl]-phenylsilane;bis(iridium);2-phenyl-4-(trideuteriomethyl)pyridine
CID 158761094
2-(3,5-dimethylbenzene-6-id-1-yl)-4-methyl-5-phenylpyridine;pentakis(iridium);2-[3-(3-methylphenyl)benzene-6-id-1-yl]pyridine;5-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;3-methyl-2-pyridin-2-ylpyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine;2-(4-phenylbenzene-6-id-1-yl)pyridine;2-phenylpyridine
CID 157363691
5-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;2-[4-(3,5-dimethylphenyl)benzene-6-id-1-yl]pyridine;2,4-dimethyl-6-(3-phenylbenzene-6-id-1-yl)pyridine;4,5-dimethyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;tetrakis(iridium)
CID 160525107
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

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-(4-phenylbenzene-6-id-1-yl)pyridine;tetrakis(iridium);5-methyl-2-(4-phenylbenzene-6-id-1-yl)pyridine;4-(1,1,2,2,2-pentadeuterioethyl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;2-(4-phenylbenzene-6-id-1-yl)pyridine;tetrakis(2-phenyl-5-(trideuteriomethyl)pyridine)?
The IUPAC name of 4,5-dimethyl-2-(4-phenylbenzene-6-id-1-yl)pyridine;tetrakis(iridium);5-methyl-2-(4-phenylbenzene-6-id-1-yl)pyridine;4-(1,1,2,2,2-pentadeuterioethyl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;2-(4-phenylbenzene-6-id-1-yl)pyridine;tetrakis(2-phenyl-5-(trideuteriomethyl)pyridine) (CID 162098213) is 4,5-dimethyl-2-(4-phenylbenzene-6-id-1-yl)pyridine;tetrakis(iridium);5-methyl-2-(4-phenylbenzene-6-id-1-yl)pyridine;4-(1,1,2,2,2-pentadeuterioethyl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;2-(4-phenylbenzene-6-id-1-yl)pyridine;tetrakis(2-phenyl-5-(trideuteriomethyl)pyridine).
What is the SMILES notation for 4,5-dimethyl-2-(4-phenylbenzene-6-id-1-yl)pyridine;tetrakis(iridium);5-methyl-2-(4-phenylbenzene-6-id-1-yl)pyridine;4-(1,1,2,2,2-pentadeuterioethyl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;2-(4-phenylbenzene-6-id-1-yl)pyridine;tetrakis(2-phenyl-5-(trideuteriomethyl)pyridine)?
The canonical SMILES for 4,5-dimethyl-2-(4-phenylbenzene-6-id-1-yl)pyridine;tetrakis(iridium);5-methyl-2-(4-phenylbenzene-6-id-1-yl)pyridine;4-(1,1,2,2,2-pentadeuterioethyl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;2-(4-phenylbenzene-6-id-1-yl)pyridine;tetrakis(2-phenyl-5-(trideuteriomethyl)pyridine) is Cc1ccc(-c2[c-]cc(-c3ccccc3)cc2)nc1.Cc1cnc(-c2[c-]cc(-c3ccccc3)cc2)cc1C.[2H]C([2H])([2H])C([2H])([2H])c1ccnc(-c2[c-]ccc(-c3ccccc3)c2)c1.[2H]C([2H])([2H])c1ccc(-c2[c-]cccc2)nc1.[2H]C([2H])([2H])c1ccc(-c2[c-]cccc2)nc1.[2H]C([2H])([2H])c1ccc(-c2[c-]cccc2)nc1.[2H]C([2H])([2H])c1ccc(-c2[c-]cccc2)nc1.[Ir].[Ir].[Ir].[Ir].[c-]1cc(-c2ccccc2)ccc1-c1ccccn1.
What is the InChIKey of 4,5-dimethyl-2-(4-phenylbenzene-6-id-1-yl)pyridine;tetrakis(iridium);5-methyl-2-(4-phenylbenzene-6-id-1-yl)pyridine;4-(1,1,2,2,2-pentadeuterioethyl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;2-(4-phenylbenzene-6-id-1-yl)pyridine;tetrakis(2-phenyl-5-(trideuteriomethyl)pyridine)?
The InChIKey is SBEBVACSTIHGQQ-RJBNKJMSSA-N. The full InChI is InChI=1S/2C19H16N.C18H14N.C17H12N.4C12H10N.4Ir/c1-14-12-19(20-13-15(14)2)18-10-8-17(9-11-18)16-6-4-3-5-7-16;1-2-15-11-12-20-19(13-15)18-10-6-9-17(14-18)16-7-4-3-5-8-16;1-14-7-12-18(19-13-14)17-10-8-16(9-11-17)15-5-3-2-4-6-15;1-2-6-14(7-3-1)15-9-11-16(12-10-15)17-8-4-5-13-18-17;4*1-10-7-8-12(13-9-10)11-5-3-2-4-6-11;;;;/h3-10,12-13H,1-2H3;3-9,11-14H,2H2,1H3;2-10,12-13H,1H3;1-11,13H;4*2-5,7-9H,1H3;;;;/q8*-1;;;;/i;1D3,2D2;;;4*1D3;;;;.
What are the key properties of 4,5-dimethyl-2-(4-phenylbenzene-6-id-1-yl)pyridine;tetrakis(iridium);5-methyl-2-(4-phenylbenzene-6-id-1-yl)pyridine;4-(1,1,2,2,2-pentadeuterioethyl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;2-(4-phenylbenzene-6-id-1-yl)pyridine;tetrakis(2-phenyl-5-(trideuteriomethyl)pyridine)?
4,5-dimethyl-2-(4-phenylbenzene-6-id-1-yl)pyridine;tetrakis(iridium);5-methyl-2-(4-phenylbenzene-6-id-1-yl)pyridine;4-(1,1,2,2,2-pentadeuterioethyl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;2-(4-phenylbenzene-6-id-1-yl)pyridine;tetrakis(2-phenyl-5-(trideuteriomethyl)pyridine) has a molecular weight of 2450.14 g/mol, XLogP of 29.77, 18 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-(4-phenylbenzene-6-id-1-yl)pyridine;tetrakis(iridium);5-methyl-2-(4-phenylbenzene-6-id-1-yl)pyridine;4-(1,1,2,2,2-pentadeuterioethyl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;2-(4-phenylbenzene-6-id-1-yl)pyridine;tetrakis(2-phenyl-5-(trideuteriomethyl)pyridine) is sourced from PubChem (CID 162098213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).