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

C122H116Ge4Ir4N8-8 — CID 161340323

IUPACtetrakis(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
SMILESC[Ge](C)(C)c1ccc(-c2[c-]cc(-c3ccccc3)cc2)nc1.C[Ge](C)(C)c1ccnc(-c2[c-]cc(-c3ccccc3)cc2)c1.C[Ge](C)(C)c1ccnc(-c2[c-]ccc(-c3ccccc3)c2)c1.C[Ge](C)(C)c1ccnc(-c2[c-]cccc2)c1.[2H]C([2H])([2H])c1cccc(-c2[c-]cccc2)n1.[2H]C([2H])([2H])c1cccc(-c2[c-]cccc2)n1.[2H]C([2H])([2H])c1cccc(-c2[c-]cccc2)n1.[2H]C([2H])([2H])c1cccc(-c2[c-]cccc2)n1.[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/3C20H20GeN.C14H16GeN.4C12H10N.4Ir/c1-21(2,3)19-12-13-22-20(15-19)18-11-7-10-17(14-18)16-8-5-4-6-9-16;1-21(2,3)19-13-14-22-20(15-19)18-11-9-17(10-12-18)16-7-5-4-6-8-16;1-21(2,3)19-13-14-20(22-15-19)18-11-9-17(10-12-18)16-7-5-4-6-8-16;1-15(2,3)13-9-10-16-14(11-13)12-7-5-4-6-8-12;4*1-10-6-5-9-12(13-10)11-7-3-2-4-8-11;;;;/h4-10,12-15H,1-3H3;2*4-11,13-15H,1-3H3;4-7,9-11H,1-3H3;4*2-7,9H,1H3;;;;/q8*-1;;;;/i;;;;4*1D3;;;;
InChIKeyYEBUXJISADNSKU-ZCGQUQJASA-N
MW2765.71 g/mol
LogP28.80
Rot. Bonds19

About 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

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 (PubChem CID 161340323) has the molecular formula C122H116Ge4Ir4N8-8 and a molecular weight of 2765.71 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nametetrakis(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
PubChem CID161340323
Molecular FormulaC122H116Ge4Ir4N8-8
Molecular Weight2765.71 g/mol
Exact Mass2772.55
IUPAC Nametetrakis(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
SMILESC[Ge](C)(C)c1ccc(-c2[c-]cc(-c3ccccc3)cc2)nc1.C[Ge](C)(C)c1ccnc(-c2[c-]cc(-c3ccccc3)cc2)c1.C[Ge](C)(C)c1ccnc(-c2[c-]ccc(-c3ccccc3)c2)c1.C[Ge](C)(C)c1ccnc(-c2[c-]cccc2)c1.[2H]C([2H])([2H])c1cccc(-c2[c-]cccc2)n1.[2H]C([2H])([2H])c1cccc(-c2[c-]cccc2)n1.[2H]C([2H])([2H])c1cccc(-c2[c-]cccc2)n1.[2H]C([2H])([2H])c1cccc(-c2[c-]cccc2)n1.[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/3C20H20GeN.C14H16GeN.4C12H10N.4Ir/c1-21(2,3)19-12-13-22-20(15-19)18-11-7-10-17(14-18)16-8-5-4-6-9-16;1-21(2,3)19-13-14-22-20(15-19)18-11-9-17(10-12-18)16-7-5-4-6-8-16;1-21(2,3)19-13-14-20(22-15-19)18-11-9-17(10-12-18)16-7-5-4-6-8-16;1-15(2,3)13-9-10-16-14(11-13)12-7-5-4-6-8-12;4*1-10-6-5-9-12(13-10)11-7-3-2-4-8-11;;;;/h4-10,12-15H,1-3H3;2*4-11,13-15H,1-3H3;4-7,9-11H,1-3H3;4*2-7,9H,1H3;;;;/q8*-1;;;;/i;;;;4*1D3;;;;
InChIKeyYEBUXJISADNSKU-ZCGQUQJASA-N
XLogP28.80
TPSA103.12 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds19
Heavy Atoms138
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002765.71
LogP ≤ 528.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C[Ge](C)(C)c1ccc(-c2[c-]cc(-c3ccccc3)cc2)nc1.C[Ge](C)(C)c1ccnc(-c2[c-]cc(-c3ccccc3)cc2)c1.C[Ge](C)(C)c1ccnc(-c2[c-]ccc(-c3ccccc3)c2)c1.C[Ge](C)(C)c1ccnc(-c2[c-]cccc2)c1.[2H]C([2H])([2H])c1cccc(-c2[c-]cccc2)n1.[2H]C([2H])([2H])c1cccc(-c2[c-]cccc2)n1.[2H]C([2H])([2H])c1cccc(-c2[c-]cccc2)n1.[2H]C([2H])([2H])c1cccc(-c2[c-]cccc2)n1.[Ir].[Ir].[Ir].[Ir].
What is the InChIKey of 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?
The InChIKey is YEBUXJISADNSKU-ZCGQUQJASA-N. The full InChI is InChI=1S/3C20H20GeN.C14H16GeN.4C12H10N.4Ir/c1-21(2,3)19-12-13-22-20(15-19)18-11-7-10-17(14-18)16-8-5-4-6-9-16;1-21(2,3)19-13-14-22-20(15-19)18-11-9-17(10-12-18)16-7-5-4-6-8-16;1-21(2,3)19-13-14-20(22-15-19)18-11-9-17(10-12-18)16-7-5-4-6-8-16;1-15(2,3)13-9-10-16-14(11-13)12-7-5-4-6-8-12;4*1-10-6-5-9-12(13-10)11-7-3-2-4-8-11;;;;/h4-10,12-15H,1-3H3;2*4-11,13-15H,1-3H3;4-7,9-11H,1-3H3;4*2-7,9H,1H3;;;;/q8*-1;;;;/i;;;;4*1D3;;;;.
What are the key properties of 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?
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 has a molecular weight of 2765.71 g/mol, XLogP of 28.80, 19 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 161340323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).