tetrakis(iridium);5-(4-methylphenyl)-2-phenylpyridine;4-methyl-2-phenyl-5-pyridin-2-ylpyridine;tetrakis(4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine);5-phenyl-2-phenylpyridine;2-phenyl-5-[4-(trideuteriomethyl)phenyl]pyridine

C122H101Ir4N9-8 — CID 157081048

IUPACtetrakis(iridium);5-(4-methylphenyl)-2-phenylpyridine;4-methyl-2-phenyl-5-pyridin-2-ylpyridine;tetrakis(4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine);5-phenyl-2-phenylpyridine;2-phenyl-5-[4-(trideuteriomethyl)phenyl]pyridine
SMILESCc1cc(-c2[c-]cccc2)ncc1-c1ccccn1.Cc1ccc(-c2ccc(-c3[c-]cccc3)nc2)cc1.[2H]C([2H])([2H])c1ccc(-c2ccc(-c3[c-]cccc3)nc2)cc1.[2H]C([2H])([2H])c1cnc(-c2[c-]cccc2)cc1C.[2H]C([2H])([2H])c1cnc(-c2[c-]cccc2)cc1C.[2H]C([2H])([2H])c1cnc(-c2[c-]cccc2)cc1C.[2H]C([2H])([2H])c1cnc(-c2[c-]cccc2)cc1C.[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccc(-c2ccccc2)cn1
InChIInChI=1S/2C18H14N.C17H13N2.C17H12N.4C13H12N.4Ir/c2*1-14-7-9-15(10-8-14)17-11-12-18(19-13-17)16-5-3-2-4-6-16;1-13-11-17(14-7-3-2-4-8-14)19-12-15(13)16-9-5-6-10-18-16;1-3-7-14(8-4-1)16-11-12-17(18-13-16)15-9-5-2-6-10-15;4*1-10-8-13(14-9-11(10)2)12-6-4-3-5-7-12;;;;/h2*2-5,7-13H,1H3;2-7,9-12H,1H3;1-9,11-13H;4*3-6,8-9H,1-2H3;;;;/q8*-1;;;;/i1D3;;;;4*2D3;;;;
InChIKeyDESXDLZFJBPHAT-PGXBFZNTSA-N
MW2477.17 g/mol
LogP29.84
Rot. Bonds17

About tetrakis(iridium);5-(4-methylphenyl)-2-phenylpyridine;4-methyl-2-phenyl-5-pyridin-2-ylpyridine;tetrakis(4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine);5-phenyl-2-phenylpyridine;2-phenyl-5-[4-(trideuteriomethyl)phenyl]pyridine

tetrakis(iridium);5-(4-methylphenyl)-2-phenylpyridine;4-methyl-2-phenyl-5-pyridin-2-ylpyridine;tetrakis(4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine);5-phenyl-2-phenylpyridine;2-phenyl-5-[4-(trideuteriomethyl)phenyl]pyridine (PubChem CID 157081048) has the molecular formula C122H101Ir4N9-8 and a molecular weight of 2477.17 g/mol. Its IUPAC name is tetrakis(iridium);5-(4-methylphenyl)-2-phenylpyridine;4-methyl-2-phenyl-5-pyridin-2-ylpyridine;tetrakis(4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine);5-phenyl-2-phenylpyridine;2-phenyl-5-[4-(trideuteriomethyl)phenyl]pyridine.

Molecular Properties

Compound Nametetrakis(iridium);5-(4-methylphenyl)-2-phenylpyridine;4-methyl-2-phenyl-5-pyridin-2-ylpyridine;tetrakis(4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine);5-phenyl-2-phenylpyridine;2-phenyl-5-[4-(trideuteriomethyl)phenyl]pyridine
PubChem CID157081048
Molecular FormulaC122H101Ir4N9-8
Molecular Weight2477.17 g/mol
Exact Mass2478.77
IUPAC Nametetrakis(iridium);5-(4-methylphenyl)-2-phenylpyridine;4-methyl-2-phenyl-5-pyridin-2-ylpyridine;tetrakis(4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine);5-phenyl-2-phenylpyridine;2-phenyl-5-[4-(trideuteriomethyl)phenyl]pyridine
SMILESCc1cc(-c2[c-]cccc2)ncc1-c1ccccn1.Cc1ccc(-c2ccc(-c3[c-]cccc3)nc2)cc1.[2H]C([2H])([2H])c1ccc(-c2ccc(-c3[c-]cccc3)nc2)cc1.[2H]C([2H])([2H])c1cnc(-c2[c-]cccc2)cc1C.[2H]C([2H])([2H])c1cnc(-c2[c-]cccc2)cc1C.[2H]C([2H])([2H])c1cnc(-c2[c-]cccc2)cc1C.[2H]C([2H])([2H])c1cnc(-c2[c-]cccc2)cc1C.[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccc(-c2ccccc2)cn1
InChIInChI=1S/2C18H14N.C17H13N2.C17H12N.4C13H12N.4Ir/c2*1-14-7-9-15(10-8-14)17-11-12-18(19-13-17)16-5-3-2-4-6-16;1-13-11-17(14-7-3-2-4-8-14)19-12-15(13)16-9-5-6-10-18-16;1-3-7-14(8-4-1)16-11-12-17(18-13-16)15-9-5-2-6-10-15;4*1-10-8-13(14-9-11(10)2)12-6-4-3-5-7-12;;;;/h2*2-5,7-13H,1H3;2-7,9-12H,1H3;1-9,11-13H;4*3-6,8-9H,1-2H3;;;;/q8*-1;;;;/i1D3;;;;4*2D3;;;;
InChIKeyDESXDLZFJBPHAT-PGXBFZNTSA-N
XLogP29.84
TPSA116.01 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds17
Heavy Atoms135
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002477.17
LogP ≤ 529.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze tetrakis(iridium);5-(4-methylphenyl)-2-phenylpyridine;4-methyl-2-phenyl-5-pyridin-2-ylpyridine;tetrakis(4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine);5-phenyl-2-phenylpyridine;2-phenyl-5-[4-(trideuteriomethyl)phenyl]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

(2-(4-methyl-5-phenyl-2-pyridinyl-kappaN)phenyl-kappaC)bis(2-(2-pyridinyl-kappaN)phenyl-kappaC) Iridium
CID 59546880
3-[(2S)-1-methylpyrrolidin-2-yl]-1-[5-[2,4,5-tris[5-[3-[(2S)-1-methylpyrrolidin-2-yl]pyridin-1-ium-1-yl]pentyl]phenyl]pentyl]pyridin-1-ium tetrabromide
CID 44581014
4-Tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine;bis(2-(2,4-difluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine);iridium
CID 170518286
Ru(II)(phen)2(phen-cyclam-Ni(II)
CID 16683885
Ru(II)(phen)2(phen-cyclam-Cu(II)
CID 16683886
Ru(II)(phen)2(phen-cyclam-Fe(III))
CID 16683887
Ru(II)(phen)2(phen-cyclam-Co(III)-Cl2)
CID 16683888
Ru(II)(bpy)2(Mebpy-cyclam-Ni(II))
CID 16683889
Ru(II)(bpy)2(Mebpy-cyclam-Zn(II))
CID 16683890
Ru(II)(bpy)2(Mebpy-cyclam-Cu(II))
CID 16683891
Ru(II)(bpy)2(Mebpy-cyclam-Fe(III)-Cl2)
CID 16683892
Ru(II)(bpy)2(Mebpy-cyclam-Co(III)-Cl2)
CID 16683893

Frequently Asked Questions

What is the IUPAC name of tetrakis(iridium);5-(4-methylphenyl)-2-phenylpyridine;4-methyl-2-phenyl-5-pyridin-2-ylpyridine;tetrakis(4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine);5-phenyl-2-phenylpyridine;2-phenyl-5-[4-(trideuteriomethyl)phenyl]pyridine?
The IUPAC name of tetrakis(iridium);5-(4-methylphenyl)-2-phenylpyridine;4-methyl-2-phenyl-5-pyridin-2-ylpyridine;tetrakis(4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine);5-phenyl-2-phenylpyridine;2-phenyl-5-[4-(trideuteriomethyl)phenyl]pyridine (CID 157081048) is tetrakis(iridium);5-(4-methylphenyl)-2-phenylpyridine;4-methyl-2-phenyl-5-pyridin-2-ylpyridine;tetrakis(4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine);5-phenyl-2-phenylpyridine;2-phenyl-5-[4-(trideuteriomethyl)phenyl]pyridine.
What is the SMILES notation for tetrakis(iridium);5-(4-methylphenyl)-2-phenylpyridine;4-methyl-2-phenyl-5-pyridin-2-ylpyridine;tetrakis(4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine);5-phenyl-2-phenylpyridine;2-phenyl-5-[4-(trideuteriomethyl)phenyl]pyridine?
The canonical SMILES for tetrakis(iridium);5-(4-methylphenyl)-2-phenylpyridine;4-methyl-2-phenyl-5-pyridin-2-ylpyridine;tetrakis(4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine);5-phenyl-2-phenylpyridine;2-phenyl-5-[4-(trideuteriomethyl)phenyl]pyridine is Cc1cc(-c2[c-]cccc2)ncc1-c1ccccn1.Cc1ccc(-c2ccc(-c3[c-]cccc3)nc2)cc1.[2H]C([2H])([2H])c1ccc(-c2ccc(-c3[c-]cccc3)nc2)cc1.[2H]C([2H])([2H])c1cnc(-c2[c-]cccc2)cc1C.[2H]C([2H])([2H])c1cnc(-c2[c-]cccc2)cc1C.[2H]C([2H])([2H])c1cnc(-c2[c-]cccc2)cc1C.[2H]C([2H])([2H])c1cnc(-c2[c-]cccc2)cc1C.[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccc(-c2ccccc2)cn1.
What is the InChIKey of tetrakis(iridium);5-(4-methylphenyl)-2-phenylpyridine;4-methyl-2-phenyl-5-pyridin-2-ylpyridine;tetrakis(4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine);5-phenyl-2-phenylpyridine;2-phenyl-5-[4-(trideuteriomethyl)phenyl]pyridine?
The InChIKey is DESXDLZFJBPHAT-PGXBFZNTSA-N. The full InChI is InChI=1S/2C18H14N.C17H13N2.C17H12N.4C13H12N.4Ir/c2*1-14-7-9-15(10-8-14)17-11-12-18(19-13-17)16-5-3-2-4-6-16;1-13-11-17(14-7-3-2-4-8-14)19-12-15(13)16-9-5-6-10-18-16;1-3-7-14(8-4-1)16-11-12-17(18-13-16)15-9-5-2-6-10-15;4*1-10-8-13(14-9-11(10)2)12-6-4-3-5-7-12;;;;/h2*2-5,7-13H,1H3;2-7,9-12H,1H3;1-9,11-13H;4*3-6,8-9H,1-2H3;;;;/q8*-1;;;;/i1D3;;;;4*2D3;;;;.
What are the key properties of tetrakis(iridium);5-(4-methylphenyl)-2-phenylpyridine;4-methyl-2-phenyl-5-pyridin-2-ylpyridine;tetrakis(4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine);5-phenyl-2-phenylpyridine;2-phenyl-5-[4-(trideuteriomethyl)phenyl]pyridine?
tetrakis(iridium);5-(4-methylphenyl)-2-phenylpyridine;4-methyl-2-phenyl-5-pyridin-2-ylpyridine;tetrakis(4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine);5-phenyl-2-phenylpyridine;2-phenyl-5-[4-(trideuteriomethyl)phenyl]pyridine has a molecular weight of 2477.17 g/mol, XLogP of 29.84, 17 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(iridium);5-(4-methylphenyl)-2-phenylpyridine;4-methyl-2-phenyl-5-pyridin-2-ylpyridine;tetrakis(4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine);5-phenyl-2-phenylpyridine;2-phenyl-5-[4-(trideuteriomethyl)phenyl]pyridine is sourced from PubChem (CID 157081048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).