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

C119H94Ir4N8-8 — CID 157215625

IUPACtetrakis(iridium);5-(2-methylphenyl)-2-phenylpyridine;5-(4-methylphenyl)-2-phenylpyridine;5-phenyl-2-phenylpyridine;2-phenyl-5-[4-(trideuteriomethyl)phenyl]pyridine;tetrakis(2-phenyl-5-(trideuteriomethyl)pyridine)
SMILESCc1ccc(-c2ccc(-c3[c-]cccc3)nc2)cc1.Cc1ccccc1-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.[2H]C([2H])([2H])c1ccc(-c2[c-]cccc2)nc1.[2H]C([2H])([2H])c1ccc(-c2ccc(-c3[c-]cccc3)nc2)cc1.[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccc(-c2ccccc2)cn1
InChIInChI=1S/3C18H14N.C17H12N.4C12H10N.4Ir/c1-14-7-5-6-10-17(14)16-11-12-18(19-13-16)15-8-3-2-4-9-15;2*1-14-7-9-15(10-8-14)17-11-12-18(19-13-17)16-5-3-2-4-6-16;1-3-7-14(8-4-1)16-11-12-17(18-13-16)15-9-5-2-6-10-15;4*1-10-7-8-12(13-9-10)11-5-3-2-4-6-11;;;;/h2-8,10-13H,1H3;2*2-5,7-13H,1H3;1-9,11-13H;4*2-5,7-9H,1H3;;;;/q8*-1;;;;/i;1D3;;;4*1D3;;;;
InChIKeyFZPONOAKEVHVQY-RHIRWZPNSA-N
MW2420.08 g/mol
LogP29.21
Rot. Bonds17

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

tetrakis(iridium);5-(2-methylphenyl)-2-phenylpyridine;5-(4-methylphenyl)-2-phenylpyridine;5-phenyl-2-phenylpyridine;2-phenyl-5-[4-(trideuteriomethyl)phenyl]pyridine;tetrakis(2-phenyl-5-(trideuteriomethyl)pyridine) (PubChem CID 157215625) has the molecular formula C119H94Ir4N8-8 and a molecular weight of 2420.08 g/mol. Its IUPAC name is tetrakis(iridium);5-(2-methylphenyl)-2-phenylpyridine;5-(4-methylphenyl)-2-phenylpyridine;5-phenyl-2-phenylpyridine;2-phenyl-5-[4-(trideuteriomethyl)phenyl]pyridine;tetrakis(2-phenyl-5-(trideuteriomethyl)pyridine).

Molecular Properties

Compound Nametetrakis(iridium);5-(2-methylphenyl)-2-phenylpyridine;5-(4-methylphenyl)-2-phenylpyridine;5-phenyl-2-phenylpyridine;2-phenyl-5-[4-(trideuteriomethyl)phenyl]pyridine;tetrakis(2-phenyl-5-(trideuteriomethyl)pyridine)
PubChem CID157215625
Molecular FormulaC119H94Ir4N8-8
Molecular Weight2420.08 g/mol
Exact Mass2421.71
IUPAC Nametetrakis(iridium);5-(2-methylphenyl)-2-phenylpyridine;5-(4-methylphenyl)-2-phenylpyridine;5-phenyl-2-phenylpyridine;2-phenyl-5-[4-(trideuteriomethyl)phenyl]pyridine;tetrakis(2-phenyl-5-(trideuteriomethyl)pyridine)
SMILESCc1ccc(-c2ccc(-c3[c-]cccc3)nc2)cc1.Cc1ccccc1-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.[2H]C([2H])([2H])c1ccc(-c2[c-]cccc2)nc1.[2H]C([2H])([2H])c1ccc(-c2ccc(-c3[c-]cccc3)nc2)cc1.[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccc(-c2ccccc2)cn1
InChIInChI=1S/3C18H14N.C17H12N.4C12H10N.4Ir/c1-14-7-5-6-10-17(14)16-11-12-18(19-13-16)15-8-3-2-4-9-15;2*1-14-7-9-15(10-8-14)17-11-12-18(19-13-17)16-5-3-2-4-6-16;1-3-7-14(8-4-1)16-11-12-17(18-13-16)15-9-5-2-6-10-15;4*1-10-7-8-12(13-9-10)11-5-3-2-4-6-11;;;;/h2-8,10-13H,1H3;2*2-5,7-13H,1H3;1-9,11-13H;4*2-5,7-9H,1H3;;;;/q8*-1;;;;/i;1D3;;;4*1D3;;;;
InChIKeyFZPONOAKEVHVQY-RHIRWZPNSA-N
XLogP29.21
TPSA103.12 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds17
Heavy Atoms131
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002420.08
LogP ≤ 529.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze tetrakis(iridium);5-(2-methylphenyl)-2-phenylpyridine;5-(4-methylphenyl)-2-phenylpyridine;5-phenyl-2-phenylpyridine;2-phenyl-5-[4-(trideuteriomethyl)phenyl]pyridine;tetrakis(2-phenyl-5-(trideuteriomethyl)pyridine) with MolForge

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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
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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
Ru(II)(bpy)2(Mebpy-cyclam-2H+)
CID 16683895

Frequently Asked Questions

What is the IUPAC name of tetrakis(iridium);5-(2-methylphenyl)-2-phenylpyridine;5-(4-methylphenyl)-2-phenylpyridine;5-phenyl-2-phenylpyridine;2-phenyl-5-[4-(trideuteriomethyl)phenyl]pyridine;tetrakis(2-phenyl-5-(trideuteriomethyl)pyridine)?
The IUPAC name of tetrakis(iridium);5-(2-methylphenyl)-2-phenylpyridine;5-(4-methylphenyl)-2-phenylpyridine;5-phenyl-2-phenylpyridine;2-phenyl-5-[4-(trideuteriomethyl)phenyl]pyridine;tetrakis(2-phenyl-5-(trideuteriomethyl)pyridine) (CID 157215625) is tetrakis(iridium);5-(2-methylphenyl)-2-phenylpyridine;5-(4-methylphenyl)-2-phenylpyridine;5-phenyl-2-phenylpyridine;2-phenyl-5-[4-(trideuteriomethyl)phenyl]pyridine;tetrakis(2-phenyl-5-(trideuteriomethyl)pyridine).
What is the SMILES notation for tetrakis(iridium);5-(2-methylphenyl)-2-phenylpyridine;5-(4-methylphenyl)-2-phenylpyridine;5-phenyl-2-phenylpyridine;2-phenyl-5-[4-(trideuteriomethyl)phenyl]pyridine;tetrakis(2-phenyl-5-(trideuteriomethyl)pyridine)?
The canonical SMILES for tetrakis(iridium);5-(2-methylphenyl)-2-phenylpyridine;5-(4-methylphenyl)-2-phenylpyridine;5-phenyl-2-phenylpyridine;2-phenyl-5-[4-(trideuteriomethyl)phenyl]pyridine;tetrakis(2-phenyl-5-(trideuteriomethyl)pyridine) is Cc1ccc(-c2ccc(-c3[c-]cccc3)nc2)cc1.Cc1ccccc1-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.[2H]C([2H])([2H])c1ccc(-c2[c-]cccc2)nc1.[2H]C([2H])([2H])c1ccc(-c2ccc(-c3[c-]cccc3)nc2)cc1.[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccc(-c2ccccc2)cn1.
What is the InChIKey of tetrakis(iridium);5-(2-methylphenyl)-2-phenylpyridine;5-(4-methylphenyl)-2-phenylpyridine;5-phenyl-2-phenylpyridine;2-phenyl-5-[4-(trideuteriomethyl)phenyl]pyridine;tetrakis(2-phenyl-5-(trideuteriomethyl)pyridine)?
The InChIKey is FZPONOAKEVHVQY-RHIRWZPNSA-N. The full InChI is InChI=1S/3C18H14N.C17H12N.4C12H10N.4Ir/c1-14-7-5-6-10-17(14)16-11-12-18(19-13-16)15-8-3-2-4-9-15;2*1-14-7-9-15(10-8-14)17-11-12-18(19-13-17)16-5-3-2-4-6-16;1-3-7-14(8-4-1)16-11-12-17(18-13-16)15-9-5-2-6-10-15;4*1-10-7-8-12(13-9-10)11-5-3-2-4-6-11;;;;/h2-8,10-13H,1H3;2*2-5,7-13H,1H3;1-9,11-13H;4*2-5,7-9H,1H3;;;;/q8*-1;;;;/i;1D3;;;4*1D3;;;;.
What are the key properties of tetrakis(iridium);5-(2-methylphenyl)-2-phenylpyridine;5-(4-methylphenyl)-2-phenylpyridine;5-phenyl-2-phenylpyridine;2-phenyl-5-[4-(trideuteriomethyl)phenyl]pyridine;tetrakis(2-phenyl-5-(trideuteriomethyl)pyridine)?
tetrakis(iridium);5-(2-methylphenyl)-2-phenylpyridine;5-(4-methylphenyl)-2-phenylpyridine;5-phenyl-2-phenylpyridine;2-phenyl-5-[4-(trideuteriomethyl)phenyl]pyridine;tetrakis(2-phenyl-5-(trideuteriomethyl)pyridine) has a molecular weight of 2420.08 g/mol, XLogP of 29.21, 17 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(iridium);5-(2-methylphenyl)-2-phenylpyridine;5-(4-methylphenyl)-2-phenylpyridine;5-phenyl-2-phenylpyridine;2-phenyl-5-[4-(trideuteriomethyl)phenyl]pyridine;tetrakis(2-phenyl-5-(trideuteriomethyl)pyridine) is sourced from PubChem (CID 157215625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).